ethyl N-(5-hydroxypent-1-en-3-yl)carbamate

C8H15NO3 — CID 45122936

IUPACethyl N-(5-hydroxypent-1-en-3-yl)carbamate
SMILESC=CC(CCO)NC(=O)OCC
InChIInChI=1S/C8H15NO3/c1-3-7(5-6-10)9-8(11)12-4-2/h3,7,10H,1,4-6H2,2H3,(H,9,11)
InChIKeyKWAZZVAHFIWAQA-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.67
Rot. Bonds5

About ethyl N-(5-hydroxypent-1-en-3-yl)carbamate

ethyl N-(5-hydroxypent-1-en-3-yl)carbamate (PubChem CID 45122936) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl N-(5-hydroxypent-1-en-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-hydroxypent-1-en-3-yl)carbamate
PubChem CID45122936
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl N-(5-hydroxypent-1-en-3-yl)carbamate
SMILESC=CC(CCO)NC(=O)OCC
InChIInChI=1S/C8H15NO3/c1-3-7(5-6-10)9-8(11)12-4-2/h3,7,10H,1,4-6H2,2H3,(H,9,11)
InChIKeyKWAZZVAHFIWAQA-UHFFFAOYSA-N
XLogP0.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate
CID 142796678
ethyl N-but-3-en-2-ylcarbamate
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ethyl N-[(E)-hex-4-en-3-yl]carbamate
CID 11030282
methyl N-[(2S)-1-hydroxybut-3-en-2-yl]carbamate
CID 55299333
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
ethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 95898092
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
N-hex-1-en-3-ylpropanamide
CID 54131480
ethyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
CID 10866636
ethyl N-[1-(ethoxycarbonylamino)-2-sulfanylideneethyl]carbamate
CID 123793840
ethyl N-(1-hydroxypropyl)carbamate
CID 87232302
ethyl N-(2-hydroxyethenyl)carbamate
CID 173181517

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-hydroxypent-1-en-3-yl)carbamate?
The IUPAC name of ethyl N-(5-hydroxypent-1-en-3-yl)carbamate (CID 45122936) is ethyl N-(5-hydroxypent-1-en-3-yl)carbamate.
What is the SMILES notation for ethyl N-(5-hydroxypent-1-en-3-yl)carbamate?
The canonical SMILES for ethyl N-(5-hydroxypent-1-en-3-yl)carbamate is C=CC(CCO)NC(=O)OCC.
What is the InChIKey of ethyl N-(5-hydroxypent-1-en-3-yl)carbamate?
The InChIKey is KWAZZVAHFIWAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-7(5-6-10)9-8(11)12-4-2/h3,7,10H,1,4-6H2,2H3,(H,9,11).
What are the key properties of ethyl N-(5-hydroxypent-1-en-3-yl)carbamate?
ethyl N-(5-hydroxypent-1-en-3-yl)carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-hydroxypent-1-en-3-yl)carbamate is sourced from PubChem (CID 45122936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).