N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide

C11H16N2O — CID 79672859

IUPACN-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(CC#N)NC(=O)C1C2CCCC21
InChIInChI=1S/C11H16N2O/c1-7(5-6-12)13-11(14)10-8-3-2-4-9(8)10/h7-10H,2-5H2,1H3,(H,13,14)
InChIKeySQVXBHGEQHVDGZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.45
Rot. Bonds3

About N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide

N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79672859) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79672859
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(CC#N)NC(=O)C1C2CCCC21
InChIInChI=1S/C11H16N2O/c1-7(5-6-12)13-11(14)10-8-3-2-4-9(8)10/h7-10H,2-5H2,1H3,(H,13,14)
InChIKeySQVXBHGEQHVDGZ-UHFFFAOYSA-N
XLogP1.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid
CID 81455937
N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 127009504
2-amino-N-(1-cyanopropan-2-yl)cyclopentane-1-carboxamide
CID 64824063
N-[(2R)-1-aminopropan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 104872968
N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide
CID 80995980
1-(1-cyanopropan-2-yl)-3-cyclopropylurea
CID 62699301
N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
CID 62089580
1-(1-cyanopropan-2-yl)-3-propan-2-ylurea
CID 62092806
N-(1-cyanopropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66468991
N-[(2R)-1-cyanopropan-2-yl]acetamide
CID 55299754
(2S)-2-(bicyclo[3.1.0]hexane-6-carbonylamino)-4-methylpentanoic acid
CID 81451503
N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 103579393

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide (CID 79672859) is N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide is CC(CC#N)NC(=O)C1C2CCCC21.
What is the InChIKey of N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is SQVXBHGEQHVDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(5-6-12)13-11(14)10-8-3-2-4-9(8)10/h7-10H,2-5H2,1H3,(H,13,14).
What are the key properties of N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79672859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).