(1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide

C9H14N2O — CID 130628725

IUPAC(1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)NCCC#N
InChIInChI=1S/C9H14N2O/c1-9(2)6-7(9)8(12)11-5-3-4-10/h7H,3,5-6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyPUZYAHVRLALHCH-SSDOTTSWSA-N
MW166.22 g/mol
LogP1.06
Rot. Bonds3

About (1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 130628725) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID130628725
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)NCCC#N
InChIInChI=1S/C9H14N2O/c1-9(2)6-7(9)8(12)11-5-3-4-10/h7H,3,5-6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyPUZYAHVRLALHCH-SSDOTTSWSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837485
N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130635135
N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000185
(E)-5-cyano-2-[(2,2-dimethylcyclopropanecarbonyl)amino]pent-2-enoic acid
CID 19878112
(Z)-5-cyano-2-[(2,2-dimethylcyclopropanecarbonyl)amino]pent-2-enoic acid
CID 67919547
4-amino-N-(3-cyanopropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628781
N-[2-(2-aminoethoxy)ethyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003381
2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethylsulfanyl]acetic acid
CID 120526564
N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319928
1-tert-butyl-N-(2-cyanoethyl)azetidine-3-carboxamide
CID 166844219
N-(3-cyanopropyl)-2-methylcyclopropane-1-carboxamide
CID 62667763
N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide
CID 106827286

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 130628725) is (1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)C[C@@H]1C(=O)NCCC#N.
What is the InChIKey of (1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is PUZYAHVRLALHCH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2)6-7(9)8(12)11-5-3-4-10/h7H,3,5-6H2,1-2H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 130628725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).