ethyl N-[(E)-hex-4-en-3-yl]carbamate

C9H17NO2 — CID 11030282

IUPACethyl N-[(E)-hex-4-en-3-yl]carbamate
SMILESC/C=C/C(CC)NC(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-7-8(5-2)10-9(11)12-6-3/h4,7-8H,5-6H2,1-3H3,(H,10,11)/b7-4+
InChIKeyOHQNJIDOQGVJFU-QPJJXVBHSA-N
MW171.24 g/mol
LogP2.09
Rot. Bonds4

About ethyl N-[(E)-hex-4-en-3-yl]carbamate

ethyl N-[(E)-hex-4-en-3-yl]carbamate (PubChem CID 11030282) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl N-[(E)-hex-4-en-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-hex-4-en-3-yl]carbamate
PubChem CID11030282
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl N-[(E)-hex-4-en-3-yl]carbamate
SMILESC/C=C/C(CC)NC(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-7-8(5-2)10-9(11)12-6-3/h4,7-8H,5-6H2,1-3H3,(H,10,11)/b7-4+
InChIKeyOHQNJIDOQGVJFU-QPJJXVBHSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925
ethyl N-(1-hydroxypropyl)carbamate
CID 87232302
ethyl N-(5-hydroxypent-1-en-3-yl)carbamate
CID 45122936
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
ethyl N-[1-(ethoxycarbonylamino)-2-sulfanylideneethyl]carbamate
CID 123793840
ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
CID 10866636
ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate
CID 142796678
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
ethyl 2-methylpent-3-enoate
CID 53428586
ethyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 62314871

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-hex-4-en-3-yl]carbamate?
The IUPAC name of ethyl N-[(E)-hex-4-en-3-yl]carbamate (CID 11030282) is ethyl N-[(E)-hex-4-en-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(E)-hex-4-en-3-yl]carbamate?
The canonical SMILES for ethyl N-[(E)-hex-4-en-3-yl]carbamate is C/C=C/C(CC)NC(=O)OCC.
What is the InChIKey of ethyl N-[(E)-hex-4-en-3-yl]carbamate?
The InChIKey is OHQNJIDOQGVJFU-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-8(5-2)10-9(11)12-6-3/h4,7-8H,5-6H2,1-3H3,(H,10,11)/b7-4+.
What are the key properties of ethyl N-[(E)-hex-4-en-3-yl]carbamate?
ethyl N-[(E)-hex-4-en-3-yl]carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-hex-4-en-3-yl]carbamate is sourced from PubChem (CID 11030282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).