ethyl N-butyl-N-prop-2-enoylcarbamate

C10H17NO3 — CID 22641176

IUPACethyl N-butyl-N-prop-2-enoylcarbamate
SMILESC=CC(=O)N(CCCC)C(=O)OCC
InChIInChI=1S/C10H17NO3/c1-4-7-8-11(9(12)5-2)10(13)14-6-3/h5H,2,4,6-8H2,1,3H3
InChIKeyHCUZPNYNMLHHJY-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.96
Rot. Bonds5

About ethyl N-butyl-N-prop-2-enoylcarbamate

ethyl N-butyl-N-prop-2-enoylcarbamate (PubChem CID 22641176) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl N-butyl-N-prop-2-enoylcarbamate.

Molecular Properties

Compound Nameethyl N-butyl-N-prop-2-enoylcarbamate
PubChem CID22641176
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl N-butyl-N-prop-2-enoylcarbamate
SMILESC=CC(=O)N(CCCC)C(=O)OCC
InChIInChI=1S/C10H17NO3/c1-4-7-8-11(9(12)5-2)10(13)14-6-3/h5H,2,4,6-8H2,1,3H3
InChIKeyHCUZPNYNMLHHJY-UHFFFAOYSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxyethyl)-N-propylprop-2-enamide
CID 18185929
ethyl N-propanoyl-N-prop-2-enylcarbamate
CID 19738530
ethyl N-ethenyl-N-prop-2-enoylcarbamate
CID 19814965
N-butyl-N-prop-2-enoylprop-2-enamide
CID 21285039
N-(ethoxymethyl)-N-ethylprop-2-enamide
CID 21291107
methyl N-butyl-N-prop-2-enoylcarbamate
CID 22894440
Butyl(prop-2-enoyl)carbamic acid
CID 54023126
ethyl N-methyl-N-prop-2-enoylcarbamate
CID 57221998
N-(3-methoxypropyl)-N-methylprop-2-enamide
CID 63008198
3-Pentyl-1,3-oxazine-2,4-dione
CID 67687451
ethyl N-prop-2-enyl-N-propylcarbamate
CID 81818522
1-[Butyl(prop-2-enoyl)amino]ethyl prop-2-enoate
CID 88616958

Frequently Asked Questions

What is the IUPAC name of ethyl N-butyl-N-prop-2-enoylcarbamate?
The IUPAC name of ethyl N-butyl-N-prop-2-enoylcarbamate (CID 22641176) is ethyl N-butyl-N-prop-2-enoylcarbamate.
What is the SMILES notation for ethyl N-butyl-N-prop-2-enoylcarbamate?
The canonical SMILES for ethyl N-butyl-N-prop-2-enoylcarbamate is C=CC(=O)N(CCCC)C(=O)OCC.
What is the InChIKey of ethyl N-butyl-N-prop-2-enoylcarbamate?
The InChIKey is HCUZPNYNMLHHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-7-8-11(9(12)5-2)10(13)14-6-3/h5H,2,4,6-8H2,1,3H3.
What are the key properties of ethyl N-butyl-N-prop-2-enoylcarbamate?
ethyl N-butyl-N-prop-2-enoylcarbamate has a molecular weight of 199.25 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-butyl-N-prop-2-enoylcarbamate is sourced from PubChem (CID 22641176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).