N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide

C11H19NO2 — CID 163549327

IUPACN-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide
SMILESCOC1C=CC(C)C(CCNC=O)C1
InChIInChI=1S/C11H19NO2/c1-9-3-4-11(14-2)7-10(9)5-6-12-8-13/h3-4,8-11H,5-7H2,1-2H3,(H,12,13)
InChIKeyFHSINBACQVBOGM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.35
Rot. Bonds5

About N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide

N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide (PubChem CID 163549327) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide
PubChem CID163549327
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide
SMILESCOC1C=CC(C)C(CCNC=O)C1
InChIInChI=1S/C11H19NO2/c1-9-3-4-11(14-2)7-10(9)5-6-12-8-13/h3-4,8-11H,5-7H2,1-2H3,(H,12,13)
InChIKeyFHSINBACQVBOGM-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine
CID 163429853

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide (CID 163549327) is N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide is COC1C=CC(C)C(CCNC=O)C1.
What is the InChIKey of N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide?
The InChIKey is FHSINBACQVBOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-3-4-11(14-2)7-10(9)5-6-12-8-13/h3-4,8-11H,5-7H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide?
N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide has a molecular weight of 197.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide is sourced from PubChem (CID 163549327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).