(1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

C11H19ClN2O — CID 131065859

IUPAC(1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCC1)[C@@H]1C[C@@H]2C[C@@H]2N1
InChIInChI=1S/C11H18N2O.ClH/c14-11(12-8-3-1-2-4-8)10-6-7-5-9(7)13-10;/h7-10,13H,1-6H2,(H,12,14);1H/t7-,9-,10-;/m0./s1
InChIKeyMYHSBZZKVUMNML-IQORWLOESA-N
MW230.74 g/mol
LogP1.22
Rot. Bonds2

About (1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

(1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride (PubChem CID 131065859) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is (1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
PubChem CID131065859
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name(1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCC1)[C@@H]1C[C@@H]2C[C@@H]2N1
InChIInChI=1S/C11H18N2O.ClH/c14-11(12-8-3-1-2-4-8)10-6-7-5-9(7)13-10;/h7-10,13H,1-6H2,(H,12,14);1H/t7-,9-,10-;/m0./s1
InChIKeyMYHSBZZKVUMNML-IQORWLOESA-N
XLogP1.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 131019792
N-(thian-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
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N-(1-ethylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119831836
(1S,3S,5S)-N-(cyclobutylmethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
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N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
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N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The IUPAC name of (1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride (CID 131065859) is (1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The canonical SMILES for (1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride is Cl.O=C(NC1CCCC1)[C@@H]1C[C@@H]2C[C@@H]2N1.
What is the InChIKey of (1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
The InChIKey is MYHSBZZKVUMNML-IQORWLOESA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c14-11(12-8-3-1-2-4-8)10-6-7-5-9(7)13-10;/h7-10,13H,1-6H2,(H,12,14);1H/t7-,9-,10-;/m0./s1.
What are the key properties of (1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride?
(1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S)-N-cyclopentyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride is sourced from PubChem (CID 131065859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).