bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

C7H12ClNO — CID 141100816

IUPACbicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CC2CC2C1
InChIInChI=1S/C7H11NO.ClH/c8-7(9)6-2-4-1-5(4)3-6;/h4-6H,1-3H2,(H2,8,9);1H
InChIKeyHURKYNUZTRXOQQ-UHFFFAOYSA-N
MW161.63 g/mol
LogP0.94
Rot. Bonds1

About bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride (PubChem CID 141100816) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
PubChem CID141100816
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Namebicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CC2CC2C1
InChIInChI=1S/C7H11NO.ClH/c8-7(9)6-2-4-1-5(4)3-6;/h4-6H,1-3H2,(H2,8,9);1H
InChIKeyHURKYNUZTRXOQQ-UHFFFAOYSA-N
XLogP0.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bicyclo[3.2.0]heptane-3-carboxamide
CID 53431016
methyl 5-carbamoyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 166848927
9-hydroxy-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 84659651
3,5-dihydroxycyclohexane-1-carboxamide
CID 117046519
ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 159150821
2-(2,2-dimethylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
CID 126750153
3-cyanocyclobutane-1-carboxamide
CID 168932010
(1S,2S,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98112397
4-aminocyclohexane-1-carboxamide;dihydrochloride
CID 89303150
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765
bicyclo[4.1.0]heptane-3-carboxylic acid
CID 13203182
piperidine-4-carboxamide;trihydrochloride
CID 141114926

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The IUPAC name of bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride (CID 141100816) is bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride.
What is the SMILES notation for bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The canonical SMILES for bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride is Cl.NC(=O)C1CC2CC2C1.
What is the InChIKey of bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The InChIKey is HURKYNUZTRXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.ClH/c8-7(9)6-2-4-1-5(4)3-6;/h4-6H,1-3H2,(H2,8,9);1H.
What are the key properties of bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
bicyclo[3.1.0]hexane-3-carboxamide;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 0.94, 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-3-carboxamide;hydrochloride is sourced from PubChem (CID 141100816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).