N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide

C10H14N2O — CID 127009504

IUPACN-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESC[C@@H](C#N)NC(=O)C1C2CCCC21
InChIInChI=1S/C10H14N2O/c1-6(5-11)12-10(13)9-7-3-2-4-8(7)9/h6-9H,2-4H2,1H3,(H,12,13)/t6-,7?,8?,9?/m0/s1
InChIKeyVDHGKOLOGJGHQJ-JUGFDQIVSA-N
MW178.23 g/mol
LogP1.06
Rot. Bonds2

About N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 127009504) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID127009504
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESC[C@@H](C#N)NC(=O)C1C2CCCC21
InChIInChI=1S/C10H14N2O/c1-6(5-11)12-10(13)9-7-3-2-4-8(7)9/h6-9H,2-4H2,1H3,(H,12,13)/t6-,7?,8?,9?/m0/s1
InChIKeyVDHGKOLOGJGHQJ-JUGFDQIVSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79672859
3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid
CID 81455937
N-[(1R)-1-cyanoethyl]-5-methyloxolane-2-carboxamide
CID 130736791
N-(1-cyanoethyl)-5-oxooxolane-2-carboxamide
CID 131155881
(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
N-[(2R)-1-aminopropan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 104872968
N-(1-cyanoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365135
N-[(1S)-1-cyanoethyl]-5-oxothiolane-3-carboxamide
CID 130609101
N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79673733
(3R)-N-[(1S)-1-cyanoethyl]-1-methyl-3-propan-2-ylpyrrolidine-2-carboxamide
CID 172579465
N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79209192

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 127009504) is N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide is C[C@@H](C#N)NC(=O)C1C2CCCC21.
What is the InChIKey of N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is VDHGKOLOGJGHQJ-JUGFDQIVSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6(5-11)12-10(13)9-7-3-2-4-8(7)9/h6-9H,2-4H2,1H3,(H,12,13)/t6-,7?,8?,9?/m0/s1.
What are the key properties of N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 178.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanoethyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 127009504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).