1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide

C13H20N2O2 — CID 113362898

IUPAC1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide
SMILESC=CCOCCNC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C13H20N2O2/c1-2-9-17-10-8-15-12(16)13(11-14)6-4-3-5-7-13/h2H,1,3-10H2,(H,15,16)
InChIKeyXDCSXPIKQRMULY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.78
Rot. Bonds6

About 1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide

1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide (PubChem CID 113362898) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide
PubChem CID113362898
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide
SMILESC=CCOCCNC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C13H20N2O2/c1-2-9-17-10-8-15-12(16)13(11-14)6-4-3-5-7-13/h2H,1,3-10H2,(H,15,16)
InChIKeyXDCSXPIKQRMULY-UHFFFAOYSA-N
XLogP1.78
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)-1-cyanocyclobutane-1-carboxamide
CID 103855657
2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate
CID 83211898
methyl 3-[(1-cyanocyclohexanecarbonyl)amino]propanoate
CID 60584075
N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide
CID 80592219
N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide
CID 47438973
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide
CID 80593471
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115631260

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide (CID 113362898) is 1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide is C=CCOCCNC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is XDCSXPIKQRMULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-9-17-10-8-15-12(16)13(11-14)6-4-3-5-7-13/h2H,1,3-10H2,(H,15,16).
What are the key properties of 1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide?
1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113362898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).