propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate

C11H19NO2 — CID 130986008

IUPACpropan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate
SMILESCC(C)OC(=O)NC1(C)CC=CCC1
InChIInChI=1S/C11H19NO2/c1-9(2)14-10(13)12-11(3)7-5-4-6-8-11/h4-5,9H,6-8H2,1-3H3,(H,12,13)
InChIKeyMEQQLQMUFKBOTN-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.62
Rot. Bonds2

About propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate

propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate (PubChem CID 130986008) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate
PubChem CID130986008
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namepropan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate
SMILESCC(C)OC(=O)NC1(C)CC=CCC1
InChIInChI=1S/C11H19NO2/c1-9(2)14-10(13)12-11(3)7-5-4-6-8-11/h4-5,9H,6-8H2,1-3H3,(H,12,13)
InChIKeyMEQQLQMUFKBOTN-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate?
The IUPAC name of propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate (CID 130986008) is propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate?
The canonical SMILES for propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate is CC(C)OC(=O)NC1(C)CC=CCC1.
What is the InChIKey of propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate?
The InChIKey is MEQQLQMUFKBOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)14-10(13)12-11(3)7-5-4-6-8-11/h4-5,9H,6-8H2,1-3H3,(H,12,13).
What are the key properties of propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate?
propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1-methylcyclohex-3-en-1-yl)carbamate is sourced from PubChem (CID 130986008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).