2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

C12H18N2O2 — CID 167777866

IUPAC2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCNC(=O)C1C2CCC(C2)N1C(=O)C1CC1
InChIInChI=1S/C12H18N2O2/c1-13-11(15)10-8-4-5-9(6-8)14(10)12(16)7-2-3-7/h7-10H,2-6H2,1H3,(H,13,15)
InChIKeyGMGSXAURUICKLQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.52
Rot. Bonds2

About 2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 167777866) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID167777866
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCNC(=O)C1C2CCC(C2)N1C(=O)C1CC1
InChIInChI=1S/C12H18N2O2/c1-13-11(15)10-8-4-5-9(6-8)14(10)12(16)7-2-3-7/h7-10H,2-6H2,1H3,(H,13,15)
InChIKeyGMGSXAURUICKLQ-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 86809220
cyclopropyl-[3-(morpholine-4-carbonyl)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86809257
2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 144871403
(1R,3S,4S)-2-ethenylsulfonyl-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 167864246
2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 18437279
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
(1S,3S,4S)-2-N-ethyl-3-N-phenyl-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 124868392
tert-butyl (1R,3S)-3-(cyanomethylcarbamoyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 144701088
tert-butyl (3S,4S)-3-[(2-amino-2-oxoethyl)carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 144701100
cyclopropyl-[(3S)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 110211728
N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 21084211
3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 78955075

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 167777866) is 2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is CNC(=O)C1C2CCC(C2)N1C(=O)C1CC1.
What is the InChIKey of 2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is GMGSXAURUICKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-11(15)10-8-4-5-9(6-8)14(10)12(16)7-2-3-7/h7-10H,2-6H2,1H3,(H,13,15).
What are the key properties of 2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 167777866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).