1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide

C14H20N2O — CID 78994819

IUPAC1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCC2=CCCCC2)CCC1
InChIInChI=1S/C14H20N2O/c15-11-14(8-4-9-14)13(17)16-10-7-12-5-2-1-3-6-12/h5H,1-4,6-10H2,(H,16,17)
InChIKeyMEEINBDIZGTPBZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.69
Rot. Bonds4

About 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide

1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 78994819) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID78994819
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCCC2=CCCCC2)CCC1
InChIInChI=1S/C14H20N2O/c15-11-14(8-4-9-14)13(17)16-10-7-12-5-2-1-3-6-12/h5H,1-4,6-10H2,(H,16,17)
InChIKeyMEEINBDIZGTPBZ-UHFFFAOYSA-N
XLogP2.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide
CID 113330028
1-[2-(cyclohexen-1-yl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107855984
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 33237082
2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide
CID 55028534
1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 115437246
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970398
1-cyano-N-[2-(furan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 78994732
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108972559
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 43021008
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide (CID 78994819) is 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide is N#CC1(C(=O)NCCC2=CCCCC2)CCC1.
What is the InChIKey of 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is MEEINBDIZGTPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-11-14(8-4-9-14)13(17)16-10-7-12-5-2-1-3-6-12/h5H,1-4,6-10H2,(H,16,17).
What are the key properties of 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide?
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 78994819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).