methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate

C11H15NO2 — CID 139266068

IUPACmethyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate
SMILESC#CCN(C(=O)OC)C1C=CCCC1
InChIInChI=1S/C11H15NO2/c1-3-9-12(11(13)14-2)10-7-5-4-6-8-10/h1,5,7,10H,4,6,8-9H2,2H3
InChIKeyQZZPNINSTJVKFW-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.80
Rot. Bonds2

About methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate

methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate (PubChem CID 139266068) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate.

Molecular Properties

Compound Namemethyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate
PubChem CID139266068
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate
SMILESC#CCN(C(=O)OC)C1C=CCCC1
InChIInChI=1S/C11H15NO2/c1-3-9-12(11(13)14-2)10-7-5-4-6-8-10/h1,5,7,10H,4,6,8-9H2,2H3
InChIKeyQZZPNINSTJVKFW-UHFFFAOYSA-N
XLogP1.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1(2h)-Pyridinecarboxylic acid,5,6-dihydro-2-(2-propenyl)-,methyl ester
CID 11229141
methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398569
methyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate
CID 10954470
Methyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 14893527
methyl 2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 91394906
methyl 2-ethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 141157642
Methyl 8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 153648543
methyl (1S,4R)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10606958
Methyl 2-ethenylpiperidine-1-carboxylate
CID 14084164
methyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate
CID 14084165
ethyl 6-hexyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 14846888
methyl (6S)-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 93512050

Frequently Asked Questions

What is the IUPAC name of methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate?
The IUPAC name of methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate (CID 139266068) is methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate.
What is the SMILES notation for methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate?
The canonical SMILES for methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate is C#CCN(C(=O)OC)C1C=CCCC1.
What is the InChIKey of methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate?
The InChIKey is QZZPNINSTJVKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-9-12(11(13)14-2)10-7-5-4-6-8-10/h1,5,7,10H,4,6,8-9H2,2H3.
What are the key properties of methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate?
methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate has a molecular weight of 193.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate is sourced from PubChem (CID 139266068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).