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

C19H23N3O2 — CID 22852186

IUPAC3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide
SMILESCC1(C)C(=O)N(C(=O)NC[C@@H]2C=CN3CCCC23)c2ccccc21
InChIInChI=1S/C19H23N3O2/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/h3-4,6-7,9,11,13,15H,5,8,10,12H2,1-2H3,(H,20,24)/t13-,15?/m0/s1
InChIKeyYCQMJCGVSXKWFR-CFMCSPIPSA-N
MW325.41 g/mol
LogP2.63
Rot. Bonds2

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

3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide (PubChem CID 22852186) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide
PubChem CID22852186
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide
SMILESCC1(C)C(=O)N(C(=O)NC[C@@H]2C=CN3CCCC23)c2ccccc21
InChIInChI=1S/C19H23N3O2/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/h3-4,6-7,9,11,13,15H,5,8,10,12H2,1-2H3,(H,20,24)/t13-,15?/m0/s1
InChIKeyYCQMJCGVSXKWFR-CFMCSPIPSA-N
XLogP2.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide (CID 22852186) is 3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide is CC1(C)C(=O)N(C(=O)NC[C@@H]2C=CN3CCCC23)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide?
The InChIKey is YCQMJCGVSXKWFR-CFMCSPIPSA-N. The full InChI is InChI=1S/C19H23N3O2/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/h3-4,6-7,9,11,13,15H,5,8,10,12H2,1-2H3,(H,20,24)/t13-,15?/m0/s1.
What are the key properties of 3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide?
3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-[[(1S)-5,6,7,8-tetrahydro-1H-pyrrolizin-1-yl]methyl]indole-1-carboxamide is sourced from PubChem (CID 22852186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).