methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate

C10H15NO3 — CID 16759389

IUPACmethyl N-(6-acetylcyclohex-2-en-1-yl)carbamate
SMILESCOC(=O)NC1C=CCCC1C(C)=O
InChIInChI=1S/C10H15NO3/c1-7(12)8-5-3-4-6-9(8)11-10(13)14-2/h4,6,8-9H,3,5H2,1-2H3,(H,11,13)
InChIKeyWMPRJRDEQIXAKP-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.27
Rot. Bonds2

About methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate

methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate (PubChem CID 16759389) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-acetylcyclohex-2-en-1-yl)carbamate
PubChem CID16759389
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl N-(6-acetylcyclohex-2-en-1-yl)carbamate
SMILESCOC(=O)NC1C=CCCC1C(C)=O
InChIInChI=1S/C10H15NO3/c1-7(12)8-5-3-4-6-9(8)11-10(13)14-2/h4,6,8-9H,3,5H2,1-2H3,(H,11,13)
InChIKeyWMPRJRDEQIXAKP-UHFFFAOYSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate?
The IUPAC name of methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate (CID 16759389) is methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate.
What is the SMILES notation for methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate?
The canonical SMILES for methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate is COC(=O)NC1C=CCCC1C(C)=O.
What is the InChIKey of methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate?
The InChIKey is WMPRJRDEQIXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(12)8-5-3-4-6-9(8)11-10(13)14-2/h4,6,8-9H,3,5H2,1-2H3,(H,11,13).
What are the key properties of methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate?
methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate has a molecular weight of 197.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-acetylcyclohex-2-en-1-yl)carbamate is sourced from PubChem (CID 16759389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).