1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide

C10H18N2O — CID 16781900

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide
SMILESNC(=O)C1CCCC2CCCNC21
InChIInChI=1S/C10H18N2O/c11-10(13)8-5-1-3-7-4-2-6-12-9(7)8/h7-9,12H,1-6H2,(H2,11,13)
InChIKeyPQGBBAQXDFQZML-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.64
Rot. Bonds1

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide (PubChem CID 16781900) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide
PubChem CID16781900
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide
SMILESNC(=O)C1CCCC2CCCNC21
InChIInChI=1S/C10H18N2O/c11-10(13)8-5-1-3-7-4-2-6-12-9(7)8/h7-9,12H,1-6H2,(H2,11,13)
InChIKeyPQGBBAQXDFQZML-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid
CID 96603790
trans-(1S,2S)-2-hydroxycyclopentane-1-carboxamide
CID 55282135
(1R,2R,7R)-bicyclo[5.2.0]nonane-2-carboxamide
CID 125180717
2-(3-cyclobutylphenyl)piperidine-3-carboxamide
CID 114606016
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
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cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
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CID 143336240

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide (CID 16781900) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide is NC(=O)C1CCCC2CCCNC21.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide?
The InChIKey is PQGBBAQXDFQZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-10(13)8-5-1-3-7-4-2-6-12-9(7)8/h7-9,12H,1-6H2,(H2,11,13).
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-8-carboxamide is sourced from PubChem (CID 16781900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).