2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone

C30H43N3O — CID 143350895

About 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone

2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone (PubChem CID 143350895) has the molecular formula C30H43N3O and a molecular weight of 461.69 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone
• PubChem CID: 143350895
• Molecular Formula: C30H43N3O
• Molecular Weight: 461.69 g/mol
• Exact Mass: 461.34
• IUPAC Name: 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone
• SMILES: C=CCNC(=C)C(=C)CC1CCCN1C(=O)C(NC(=C)CC(C)(C)C)C1Cc2ccccc2C1
• InChI: InChI=1S/C30H43N3O/c1-8-15-31-23(4)21(2)17-27-14-11-16-33(27)29(34)28(32-22(3)20-30(5,6)7)26-18-24-12-9-10-13-25(24)19-26/h8-10,12-13,26-28,31-32H,1-4,11,14-20H2,5-7H3
• InChIKey: WAODUXTYOVCVAJ-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.69
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone (CID 143350895) is 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone is C=CCNC(=C)C(=C)CC1CCCN1C(=O)C(NC(=C)CC(C)(C)C)C1Cc2ccccc2C1.

What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone?

The InChIKey is WAODUXTYOVCVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O/c1-8-15-31-23(4)21(2)17-27-14-11-16-33(27)29(34)28(32-22(3)20-30(5,6)7)26-18-24-12-9-10-13-25(24)19-26/h8-10,12-13,26-28,31-32H,1-4,11,14-20H2,5-7H3.

What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone?

2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone has a molecular weight of 461.69 g/mol, XLogP of 5.54, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1H-inden-2-yl)-2-(4,4-dimethylpent-1-en-2-ylamino)-1-[2-[2-methylidene-3-(prop-2-enylamino)but-3-enyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 143350895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).