N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide

C13H21NO2 — CID 89214997

IUPACN-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide
SMILESCC1CC(OC2CCCC2)=CCC1NC=O
InChIInChI=1S/C13H21NO2/c1-10-8-12(6-7-13(10)14-9-15)16-11-4-2-3-5-11/h6,9-11,13H,2-5,7-8H2,1H3,(H,14,15)
InChIKeyFDIAIHGYWUWKRS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.37
Rot. Bonds4

About N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide

N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide (PubChem CID 89214997) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide
PubChem CID89214997
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide
SMILESCC1CC(OC2CCCC2)=CCC1NC=O
InChIInChI=1S/C13H21NO2/c1-10-8-12(6-7-13(10)14-9-15)16-11-4-2-3-5-11/h6,9-11,13H,2-5,7-8H2,1H3,(H,14,15)
InChIKeyFDIAIHGYWUWKRS-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide?
The IUPAC name of N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide (CID 89214997) is N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide.
What is the SMILES notation for N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide?
The canonical SMILES for N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide is CC1CC(OC2CCCC2)=CCC1NC=O.
What is the InChIKey of N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide?
The InChIKey is FDIAIHGYWUWKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-8-12(6-7-13(10)14-9-15)16-11-4-2-3-5-11/h6,9-11,13H,2-5,7-8H2,1H3,(H,14,15).
What are the key properties of N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide?
N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide has a molecular weight of 223.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxy-6-methylcyclohex-3-en-1-yl)formamide is sourced from PubChem (CID 89214997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).