About acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane
acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane (PubChem CID 143394126) has the molecular formula C27H44N4O2
and a molecular weight of 456.68 g/mol. Its IUPAC name is acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane.
Molecular Properties
| Compound Name | acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane |
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| PubChem CID | 143394126 |
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| Molecular Formula | C27H44N4O2 |
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| Molecular Weight | 456.68 g/mol |
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| Exact Mass | 456.35 |
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| IUPAC Name | acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane |
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| SMILES | C#C.C=CC1CC1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=C)CC1CC1)C(=C)NC.CC(C)C |
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| InChI | InChI=1S/C21H32N4O2.C4H10.C2H2/c1-5-17-12-21(17,15(3)22-4)24-20(27)18-7-6-10-25(18)19(26)13-23-14(2)11-16-8-9-16;1-4(2)3;1-2/h5,16-18,22-23H,1-3,6-13H2,4H3,(H,24,27);4H,1-3H3;1-2H/t17?,18-,21?;;/m0../s1 |
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| InChIKey | RFTPDASOOYXRQZ-XZUMTTPGSA-N |
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| XLogP | 3.59 |
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| TPSA | 73.47 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 456.68 |
| LogP ≤ 5 | 3.59 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Analyze acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane with MolForge
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Frequently Asked Questions
What is the IUPAC name of acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane?
The IUPAC name of acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane (CID 143394126) is acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane.
What is the SMILES notation for acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane?
The canonical SMILES for acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane is C#C.C=CC1CC1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=C)CC1CC1)C(=C)NC.CC(C)C.
What is the InChIKey of acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane?
The InChIKey is RFTPDASOOYXRQZ-XZUMTTPGSA-N. The full InChI is InChI=1S/C21H32N4O2.C4H10.C2H2/c1-5-17-12-21(17,15(3)22-4)24-20(27)18-7-6-10-25(18)19(26)13-23-14(2)11-16-8-9-16;1-4(2)3;1-2/h5,16-18,22-23H,1-3,6-13H2,4H3,(H,24,27);4H,1-3H3;1-2H/t17?,18-,21?;;/m0../s1.
What are the key properties of acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane?
acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane has a molecular weight of 456.68 g/mol, XLogP of 3.59, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(2S)-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]-N-[2-ethenyl-1-[1-(methylamino)ethenyl]cyclopropyl]pyrrolidine-2-carboxamide;2-methylpropane is sourced from PubChem (CID 143394126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).