1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide

C15H25N3O2 — CID 66470363

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C15H25N3O2/c16-14(19)13-6-3-9-18(13)15(20)12-8-7-10-4-1-2-5-11(10)17-12/h10-13,17H,1-9H2,(H2,16,19)
InChIKeyCZNOQZJOBDWFKW-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.77
Rot. Bonds2

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 66470363) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID66470363
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C15H25N3O2/c16-14(19)13-6-3-9-18(13)15(20)12-8-7-10-4-1-2-5-11(10)17-12/h10-13,17H,1-9H2,(H2,16,19)
InChIKeyCZNOQZJOBDWFKW-UHFFFAOYSA-N
XLogP0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)piperidine-2-carboxylic acid
CID 66470788
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 82903113
1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 104912709
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(4-methylazepan-1-yl)methanone
CID 66468793
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 43628220
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone
CID 66468992
[(2S)-1-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone;hydrochloride
CID 45263190
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107217072
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 66469594
(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 124506458
(2S)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 57059151
(2R,4aR,8aR)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 58011217

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide (CID 66470363) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)C1CCC2CCCCC2N1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is CZNOQZJOBDWFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c16-14(19)13-6-3-9-18(13)15(20)12-8-7-10-4-1-2-5-11(10)17-12/h10-13,17H,1-9H2,(H2,16,19).
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 66470363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).