1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide

C15H24N2O2 — CID 111428584

IUPAC1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCC2(O)CCCCCC2)CCCC1
InChIInChI=1S/C15H24N2O2/c16-11-14(7-5-6-8-14)13(18)17-12-15(19)9-3-1-2-4-10-15/h19H,1-10,12H2,(H,17,18)
InChIKeyRHBWAYVCCVYRHI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.27
Rot. Bonds3

About 1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide

1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide (PubChem CID 111428584) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
PubChem CID111428584
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCC2(O)CCCCCC2)CCCC1
InChIInChI=1S/C15H24N2O2/c16-11-14(7-5-6-8-14)13(18)17-12-15(19)9-3-1-2-4-10-15/h19H,1-10,12H2,(H,17,18)
InChIKeyRHBWAYVCCVYRHI-UHFFFAOYSA-N
XLogP2.27
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide (CID 111428584) is 1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide is N#CC1(C(=O)NCC2(O)CCCCCC2)CCCC1.
What is the InChIKey of 1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is RHBWAYVCCVYRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c16-11-14(7-5-6-8-14)13(18)17-12-15(19)9-3-1-2-4-10-15/h19H,1-10,12H2,(H,17,18).
What are the key properties of 1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide?
1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 111428584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).