ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate

C11H19NO2 — CID 101149474

IUPACethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate
SMILESC=CCCCN(C(=C)C)C(=O)OCC
InChIInChI=1S/C11H19NO2/c1-5-7-8-9-12(10(3)4)11(13)14-6-2/h5H,1,3,6-9H2,2,4H3
InChIKeyLGBNYCHRMSDGQY-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.94
Rot. Bonds6

About ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate

ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate (PubChem CID 101149474) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate
PubChem CID101149474
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate
SMILESC=CCCCN(C(=C)C)C(=O)OCC
InChIInChI=1S/C11H19NO2/c1-5-7-8-9-12(10(3)4)11(13)14-6-2/h5H,1,3,6-9H2,2,4H3
InChIKeyLGBNYCHRMSDGQY-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester
CID 10997267
ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate
CID 11816252
ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101149477
ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate
CID 101149478
Tert-butyl 2-methylidene-3,4-dihydropyridine-1-carboxylate
CID 166448085
ethyl N-butyl-N-prop-1-en-2-ylcarbamate
CID 76764594
butyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 68024234
ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate
CID 91420699
ethyl N-methyl-N-(pent-4-en-1-yl)carbamate
CID 115640377
Ethyl 2-methylidenepiperidine-1-carboxylate
CID 129915457
ethane;ethyl N-methyl-N-pent-4-enylcarbamate
CID 156724609
butyl 3,4-dihydro-2H-pyridine-1-carboxylate
CID 162102120

Frequently Asked Questions

What is the IUPAC name of ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate?
The IUPAC name of ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate (CID 101149474) is ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate.
What is the SMILES notation for ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate?
The canonical SMILES for ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate is C=CCCCN(C(=C)C)C(=O)OCC.
What is the InChIKey of ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate?
The InChIKey is LGBNYCHRMSDGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-7-8-9-12(10(3)4)11(13)14-6-2/h5H,1,3,6-9H2,2,4H3.
What are the key properties of ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate?
ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate has a molecular weight of 197.28 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate is sourced from PubChem (CID 101149474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).