bicyclo[3.1.0]hexane-1-carboxamide

C7H11NO — CID 55288730

IUPACbicyclo[3.1.0]hexane-1-carboxamide
SMILESNC(=O)C12CCCC1C2
InChIInChI=1S/C7H11NO/c8-6(9)7-3-1-2-5(7)4-7/h5H,1-4H2,(H2,8,9)
InChIKeyTWLLLBFLHJPBLT-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.66
Rot. Bonds1

About bicyclo[3.1.0]hexane-1-carboxamide

bicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 55288730) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane-1-carboxamide
PubChem CID55288730
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Namebicyclo[3.1.0]hexane-1-carboxamide
SMILESNC(=O)C12CCCC1C2
InChIInChI=1S/C7H11NO/c8-6(9)7-3-1-2-5(7)4-7/h5H,1-4H2,(H2,8,9)
InChIKeyTWLLLBFLHJPBLT-UHFFFAOYSA-N
XLogP0.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carboxamide
CID 12962923
tricyclo[4.3.1.12,5]undecane-1-carboxamide
CID 54046351
1-cyclopropylcyclohexane-1-carboxamide
CID 57435201
(1R,6S)-bicyclo[4.1.0]heptane-1-carbonyl chloride
CID 98072133
N-[3-(bromomethyl)cyclobutyl]bicyclo[3.1.0]hexane-1-carboxamide
CID 164654286
1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone
CID 15210262
1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide
CID 163434471
(3aR,6aR)-2-(1-methyltetrazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide
CID 146109412
1,3-dimethylcyclohexane-1-carboxamide
CID 71434485
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-(2,6-dioxopiperidin-3-yl)cyclobutane-1-carboxamide
CID 176899722
2-O-(1-bicyclo[3.1.0]hexanyl) 1-O-carbamoyl oxalate
CID 140595660

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of bicyclo[3.1.0]hexane-1-carboxamide (CID 55288730) is bicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for bicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for bicyclo[3.1.0]hexane-1-carboxamide is NC(=O)C12CCCC1C2.
What is the InChIKey of bicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is TWLLLBFLHJPBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-6(9)7-3-1-2-5(7)4-7/h5H,1-4H2,(H2,8,9).
What are the key properties of bicyclo[3.1.0]hexane-1-carboxamide?
bicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 125.17 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 55288730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).