ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate

C9H15NO3 — CID 163829772

IUPACethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCC=O)C(=O)OCC
InChIInChI=1S/C9H15NO3/c1-3-6-10(7-5-8-11)9(12)13-4-2/h3,8H,1,4-7H2,2H3
InChIKeyOCRLRYJQYFCZRG-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.22
Rot. Bonds6

About ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate

ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate (PubChem CID 163829772) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate
PubChem CID163829772
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCC=O)C(=O)OCC
InChIInChI=1S/C9H15NO3/c1-3-6-10(7-5-8-11)9(12)13-4-2/h3,8H,1,4-7H2,2H3
InChIKeyOCRLRYJQYFCZRG-UHFFFAOYSA-N
XLogP1.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
ethyl N-fluoro-N-prop-2-enylcarbamate
CID 88867877
4-oxo-N,N-bis(prop-2-enyl)butanamide
CID 173364816
ethyl N-propanoyl-N-prop-2-enylcarbamate
CID 19738530
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
CID 11265362
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
CID 142306508
ethyl N-(2-methyl-1-oxopropan-2-yl)-N-prop-2-enylcarbamate
CID 154588592
ethyl 3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate
CID 89387456
2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid
CID 79263335
pentyl N,N-bis(prop-2-enyl)carbamate
CID 88848482
ethyl N-[(Z)-but-2-enyl]-N-propylcarbamate
CID 143786345
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate?
The IUPAC name of ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate (CID 163829772) is ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate?
The canonical SMILES for ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate is C=CCN(CCC=O)C(=O)OCC.
What is the InChIKey of ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate?
The InChIKey is OCRLRYJQYFCZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-6-10(7-5-8-11)9(12)13-4-2/h3,8H,1,4-7H2,2H3.
What are the key properties of ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate?
ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate has a molecular weight of 185.22 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 163829772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).