N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

C12H18N2O — CID 79209192

IUPACN-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)(C#N)NC(=O)C1C2CCCCC21
InChIInChI=1S/C12H18N2O/c1-12(2,7-13)14-11(15)10-8-5-3-4-6-9(8)10/h8-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyUBUNRFMPUFNCKT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.84
Rot. Bonds2

About N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 79209192) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID79209192
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)(C#N)NC(=O)C1C2CCCCC21
InChIInChI=1S/C12H18N2O/c1-12(2,7-13)14-11(15)10-8-5-3-4-6-9(8)10/h8-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyUBUNRFMPUFNCKT-UHFFFAOYSA-N
XLogP1.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
CID 758027
N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79795775
N-(2-cyanopropan-2-yl)-4-methylcyclohexane-1-carboxamide
CID 79005605
N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103945589
N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 127009504
(4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 134331533
(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid
CID 103926722
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
CID 79139027
N-(1-amino-2,4-dimethylpentan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81486220
N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126662
N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79672859

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide (CID 79209192) is N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide is CC(C)(C#N)NC(=O)C1C2CCCCC21.
What is the InChIKey of N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is UBUNRFMPUFNCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,7-13)14-11(15)10-8-5-3-4-6-9(8)10/h8-10H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 79209192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).