(4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate

C15H19NO2 — CID 652223

IUPAC(4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate
SMILESCC1=CCC(COC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H19NO2/c1-12-7-9-13(10-8-12)11-18-15(17)16-14-5-3-2-4-6-14/h2-7,13H,8-11H2,1H3,(H,16,17)
InChIKeyHRTFFVMHRZLMMS-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.98
Rot. Bonds3

About (4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate

(4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate (PubChem CID 652223) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate.

Molecular Properties

Compound Name(4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate
PubChem CID652223
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate
SMILESCC1=CCC(COC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H19NO2/c1-12-7-9-13(10-8-12)11-18-15(17)16-14-5-3-2-4-6-14/h2-7,13H,8-11H2,1H3,(H,16,17)
InChIKeyHRTFFVMHRZLMMS-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propham
CID 24685
Ethyl N-phenylcarbamate
CID 7591
cyclohexyl N-phenylcarbamate
CID 246597
Urb602
CID 10979337
Methyl phenylcarbamate
CID 17451
Phenethyl phenylcarbamate
CID 347208
Carbamic acid, (4-butylphenyl)-, methyl ester
CID 2169720
Cyclopentyl phenylcarbamate
CID 18899
Carbanilic acid, p-methyl-, isopropyl ester
CID 37489
Carbanilic acid, p-iodo-, ethyl ester
CID 53741
Carbamic acid, (3-methylphenyl)-, methyl ester
CID 596693
C,C'-Diethyl N,N'-(methylenedi-4,1-phenylene)bis(carbamate)
CID 82348

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate?
The IUPAC name of (4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate (CID 652223) is (4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate.
What is the SMILES notation for (4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate?
The canonical SMILES for (4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate is CC1=CCC(COC(=O)Nc2ccccc2)CC1.
What is the InChIKey of (4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate?
The InChIKey is HRTFFVMHRZLMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-7-9-13(10-8-12)11-18-15(17)16-14-5-3-2-4-6-14/h2-7,13H,8-11H2,1H3,(H,16,17).
What are the key properties of (4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate?
(4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate has a molecular weight of 245.32 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate is sourced from PubChem (CID 652223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).