ethyl N-(3-hydroxypropylidene)carbamate

C6H11NO3 — CID 173139500

IUPACethyl N-(3-hydroxypropylidene)carbamate
SMILESCCOC(=O)N=CCCO
InChIInChI=1S/C6H11NO3/c1-2-10-6(9)7-4-3-5-8/h4,8H,2-3,5H2,1H3
InChIKeyDRMRQDGJNCUXMO-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.60
Rot. Bonds3

About ethyl N-(3-hydroxypropylidene)carbamate

ethyl N-(3-hydroxypropylidene)carbamate (PubChem CID 173139500) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl N-(3-hydroxypropylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(3-hydroxypropylidene)carbamate
PubChem CID173139500
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl N-(3-hydroxypropylidene)carbamate
SMILESCCOC(=O)N=CCCO
InChIInChI=1S/C6H11NO3/c1-2-10-6(9)7-4-3-5-8/h4,8H,2-3,5H2,1H3
InChIKeyDRMRQDGJNCUXMO-UHFFFAOYSA-N
XLogP0.60
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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ethyl (NE)-N-ethoxycarbonyliminocarbamate
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CID 173295578
ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate
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CID 175796855
CID 175796855
2-methylpropyl N-ethoxycarbonyliminocarbamate
CID 140646450

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-hydroxypropylidene)carbamate?
The IUPAC name of ethyl N-(3-hydroxypropylidene)carbamate (CID 173139500) is ethyl N-(3-hydroxypropylidene)carbamate.
What is the SMILES notation for ethyl N-(3-hydroxypropylidene)carbamate?
The canonical SMILES for ethyl N-(3-hydroxypropylidene)carbamate is CCOC(=O)N=CCCO.
What is the InChIKey of ethyl N-(3-hydroxypropylidene)carbamate?
The InChIKey is DRMRQDGJNCUXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-2-10-6(9)7-4-3-5-8/h4,8H,2-3,5H2,1H3.
What are the key properties of ethyl N-(3-hydroxypropylidene)carbamate?
ethyl N-(3-hydroxypropylidene)carbamate has a molecular weight of 145.16 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-hydroxypropylidene)carbamate is sourced from PubChem (CID 173139500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).