ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate

C8H15NO3 — CID 15698998

IUPACethyl N-but-3-enyl-N-(hydroxymethyl)carbamate
SMILESC=CCCN(CO)C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-3-5-6-9(7-10)8(11)12-4-2/h3,10H,1,4-7H2,2H3
InChIKeyNDMNJMRNMCISLA-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.97
Rot. Bonds5

About ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate

ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate (PubChem CID 15698998) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate.

Molecular Properties

Compound Nameethyl N-but-3-enyl-N-(hydroxymethyl)carbamate
PubChem CID15698998
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl N-but-3-enyl-N-(hydroxymethyl)carbamate
SMILESC=CCCN(CO)C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-3-5-6-9(7-10)8(11)12-4-2/h3,10H,1,4-7H2,2H3
InChIKeyNDMNJMRNMCISLA-UHFFFAOYSA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

but-3-enyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 9942341
Ethoxycarbonyl-(hydroxymethyl)-methyl-prop-2-enylazanium
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But-1-en-1-ol;ethyl azetidine-1-carboxylate
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tert-Butyl but-3-en-1-yl(2-hydroxyethyl)carbamate
CID 71489210
Butoxymethyl(prop-2-enyl)carbamic acid
CID 88502629
ethyl N,N-bis(prop-2-enyl)carbamate;methanol
CID 88770408
But-3-enyl(2-hydroxyethyl)carbamic acid
CID 89389918
ethyl N-methyl-N-(pent-4-en-1-yl)carbamate
CID 115640377
ethyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate
CID 115776119
Isopropyl but-3-en-1-yl(methyl)carbamate
CID 117940472
1-Hydroxybut-3-enyl(prop-2-enyl)carbamic acid
CID 122420647
ethyl N-but-3-enyl-N-methylcarbamate
CID 153562810

Frequently Asked Questions

What is the IUPAC name of ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate?
The IUPAC name of ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate (CID 15698998) is ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate.
What is the SMILES notation for ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate?
The canonical SMILES for ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate is C=CCCN(CO)C(=O)OCC.
What is the InChIKey of ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate?
The InChIKey is NDMNJMRNMCISLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-5-6-9(7-10)8(11)12-4-2/h3,10H,1,4-7H2,2H3.
What are the key properties of ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate?
ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-but-3-enyl-N-(hydroxymethyl)carbamate is sourced from PubChem (CID 15698998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).