ethyl N-pent-4-en-2-ylcarbamate

C8H15NO2 — CID 112691558

IUPACethyl N-pent-4-en-2-ylcarbamate
SMILESC=CCC(C)NC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-6-7(3)9-8(10)11-5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyXPWCKZTWUJZJDR-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.70
Rot. Bonds4

About ethyl N-pent-4-en-2-ylcarbamate

ethyl N-pent-4-en-2-ylcarbamate (PubChem CID 112691558) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl N-pent-4-en-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-pent-4-en-2-ylcarbamate
PubChem CID112691558
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl N-pent-4-en-2-ylcarbamate
SMILESC=CCC(C)NC(=O)OCC
InChIInChI=1S/C8H15NO2/c1-4-6-7(3)9-8(10)11-5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyXPWCKZTWUJZJDR-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

pent-4-en-2-ylcarbamic acid
CID 146626901
ethyl N-but-3-en-2-ylcarbamate
CID 55287045
ethyl 3,3-dimethyl-2-(pent-4-en-2-ylcarbamoyl)butanoate
CID 116538291
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
ethyl N-(1-bromopropan-2-yl)carbamate
CID 174248965
ethyl 2-(pent-4-en-2-ylamino)pentanoate
CID 115663777
ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
[(2S)-2-(ethoxycarbonylamino)propyl] acetate
CID 131844256
methyl (3R)-3-(ethoxycarbonylamino)butanoate
CID 102236477
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
phenyl N-pent-4-en-2-ylcarbamate
CID 115631343
2-amino-N-pent-4-en-2-ylpentanamide
CID 115734589

Frequently Asked Questions

What is the IUPAC name of ethyl N-pent-4-en-2-ylcarbamate?
The IUPAC name of ethyl N-pent-4-en-2-ylcarbamate (CID 112691558) is ethyl N-pent-4-en-2-ylcarbamate.
What is the SMILES notation for ethyl N-pent-4-en-2-ylcarbamate?
The canonical SMILES for ethyl N-pent-4-en-2-ylcarbamate is C=CCC(C)NC(=O)OCC.
What is the InChIKey of ethyl N-pent-4-en-2-ylcarbamate?
The InChIKey is XPWCKZTWUJZJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-6-7(3)9-8(10)11-5-2/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of ethyl N-pent-4-en-2-ylcarbamate?
ethyl N-pent-4-en-2-ylcarbamate 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-pent-4-en-2-ylcarbamate is sourced from PubChem (CID 112691558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).