1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile

C11H14N2O — CID 164651159

IUPAC1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC3CCC3C2)CC1
InChIInChI=1S/C11H14N2O/c12-7-11(3-4-11)10(14)13-5-8-1-2-9(8)6-13/h8-9H,1-6H2
InChIKeyFVYIBOIEEGBZJN-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.16
Rot. Bonds1

About 1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile

1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 164651159) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile
PubChem CID164651159
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC3CCC3C2)CC1
InChIInChI=1S/C11H14N2O/c12-7-11(3-4-11)10(14)13-5-8-1-2-9(8)6-13/h8-9H,1-6H2
InChIKeyFVYIBOIEEGBZJN-UHFFFAOYSA-N
XLogP1.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile
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1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclopentane-1-carbonitrile
CID 60718273
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carbonitrile
CID 78994544
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
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CID 106669285
ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 144937315
(3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978573
1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 81464602
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 114797594
1-(2,6-dimethylmorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 78994637
1-(3,5-dimethylpiperidine-1-carbonyl)-3-methylcyclobutane-1-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile (CID 164651159) is 1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile is N#CC1(C(=O)N2CC3CCC3C2)CC1.
What is the InChIKey of 1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is FVYIBOIEEGBZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-7-11(3-4-11)10(14)13-5-8-1-2-9(8)6-13/h8-9H,1-6H2.
What are the key properties of 1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile?
1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 164651159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).