1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide

C15H24N2O2 — CID 115759979

IUPAC1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C15H24N2O2/c1-17(12-15(19)9-5-6-10-15)13(18)14(11-16)7-3-2-4-8-14/h19H,2-10,12H2,1H3
InChIKeyVVMYQHOZIJYOLN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.22
Rot. Bonds3

About 1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide

1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 115759979) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID115759979
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C15H24N2O2/c1-17(12-15(19)9-5-6-10-15)13(18)14(11-16)7-3-2-4-8-14/h19H,2-10,12H2,1H3
InChIKeyVVMYQHOZIJYOLN-UHFFFAOYSA-N
XLogP2.22
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 115759979) is 1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide is CN(CC1(O)CCCC1)C(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is VVMYQHOZIJYOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(12-15(19)9-5-6-10-15)13(18)14(11-16)7-3-2-4-8-14/h19H,2-10,12H2,1H3.
What are the key properties of 1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide?
1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115759979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).