ethyl N-[(E)-pent-3-enyl]carbamate

C8H15NO2 — CID 115628418

IUPACethyl N-[(E)-pent-3-enyl]carbamate
SMILESC/C=C/CCNC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-7-9-8(10)11-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3+
InChIKeyOWKPQBCURUEPCB-HWKANZROSA-N
MW157.21 g/mol
LogP1.70
Rot. Bonds4

About ethyl N-[(E)-pent-3-enyl]carbamate

ethyl N-[(E)-pent-3-enyl]carbamate (PubChem CID 115628418) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl N-[(E)-pent-3-enyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-pent-3-enyl]carbamate
PubChem CID115628418
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl N-[(E)-pent-3-enyl]carbamate
SMILESC/C=C/CCNC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-7-9-8(10)11-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3+
InChIKeyOWKPQBCURUEPCB-HWKANZROSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
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

((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-carbamic acid ethyl ester
CID 10736448
Propyl-carbamic acid (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl ester
CID 10833322
ethyl N-[(E)-pent-2-enyl]carbamate
CID 14967598
Methyl 3-butenylcarbamate
CID 10080424
ethyl N-pent-4-enylcarbamate
CID 10855731
2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
CID 58895238
2-fluoroethyl N-nona-2,6-dienylcarbamate
CID 72455994
ethyl N-nonadeca-4,7,10,13-tetraenylcarbamate
CID 49823678
2,2,2-trifluoroethyl N-[(E)-pent-3-enyl]carbamate
CID 115629223
ethyl N-[(E)-2-ethylbut-2-enyl]carbamate
CID 101651895
ethyl N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]carbamate
CID 9906974
tert-butyl N-[(E)-pent-2-enyl]carbamate
CID 10702677

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-pent-3-enyl]carbamate?
The IUPAC name of ethyl N-[(E)-pent-3-enyl]carbamate (CID 115628418) is ethyl N-[(E)-pent-3-enyl]carbamate.
What is the SMILES notation for ethyl N-[(E)-pent-3-enyl]carbamate?
The canonical SMILES for ethyl N-[(E)-pent-3-enyl]carbamate is C/C=C/CCNC(=O)OCC.
What is the InChIKey of ethyl N-[(E)-pent-3-enyl]carbamate?
The InChIKey is OWKPQBCURUEPCB-HWKANZROSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-6-7-9-8(10)11-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3+.
What are the key properties of ethyl N-[(E)-pent-3-enyl]carbamate?
ethyl N-[(E)-pent-3-enyl]carbamate has a molecular weight of 157.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-pent-3-enyl]carbamate is sourced from PubChem (CID 115628418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).