methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate

C12H19NO3 — CID 11160458

IUPACmethyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate
SMILESCOC(=O)N(C1C=CCCC1)C(C)C(C)=O
InChIInChI=1S/C12H19NO3/c1-9(10(2)14)13(12(15)16-3)11-7-5-4-6-8-11/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyNSVXIWZOCSEFEW-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.14
Rot. Bonds3

About methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate

methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate (PubChem CID 11160458) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate
PubChem CID11160458
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namemethyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate
SMILESCOC(=O)N(C1C=CCCC1)C(C)C(C)=O
InChIInChI=1S/C12H19NO3/c1-9(10(2)14)13(12(15)16-3)11-7-5-4-6-8-11/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyNSVXIWZOCSEFEW-UHFFFAOYSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
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-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate?
The IUPAC name of methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate (CID 11160458) is methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate.
What is the SMILES notation for methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate?
The canonical SMILES for methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate is COC(=O)N(C1C=CCCC1)C(C)C(C)=O.
What is the InChIKey of methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate?
The InChIKey is NSVXIWZOCSEFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(10(2)14)13(12(15)16-3)11-7-5-4-6-8-11/h5,7,9,11H,4,6,8H2,1-3H3.
What are the key properties of methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate?
methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate has a molecular weight of 225.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclohex-2-en-1-yl-N-(3-oxobutan-2-yl)carbamate is sourced from PubChem (CID 11160458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).