N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide

C19H25N3O2 — CID 11537858

IUPACN-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide
SMILESCC1(C)C(=O)N(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2ccccc21
InChIInChI=1S/C19H25N3O2/c1-19(2)14-6-3-4-7-16(14)22(17(19)23)18(24)20-12-13-9-11-21-10-5-8-15(13)21/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,20,24)/t13-,15-/m0/s1
InChIKeyCXPIFHGPZZDWIL-ZFWWWQNUSA-N
MW327.43 g/mol
LogP2.50
Rot. Bonds2

About N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide

N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide (PubChem CID 11537858) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide.

Molecular Properties

Compound NameN-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide
PubChem CID11537858
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide
SMILESCC1(C)C(=O)N(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2ccccc21
InChIInChI=1S/C19H25N3O2/c1-19(2)14-6-3-4-7-16(14)22(17(19)23)18(24)20-12-13-9-11-21-10-5-8-15(13)21/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,20,24)/t13-,15-/m0/s1
InChIKeyCXPIFHGPZZDWIL-ZFWWWQNUSA-N
XLogP2.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
The IUPAC name of N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide (CID 11537858) is N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide.
What is the SMILES notation for N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
The canonical SMILES for N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide is CC1(C)C(=O)N(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2ccccc21.
What is the InChIKey of N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
The InChIKey is CXPIFHGPZZDWIL-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2)14-6-3-4-7-16(14)22(17(19)23)18(24)20-12-13-9-11-21-10-5-8-15(13)21/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,20,24)/t13-,15-/m0/s1.
What are the key properties of N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide?
N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide is sourced from PubChem (CID 11537858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).