ethyl N-butyl-N-prop-1-en-2-ylcarbamate

C10H19NO2 — CID 76764594

IUPACethyl N-butyl-N-prop-1-en-2-ylcarbamate
SMILESC=C(C)N(CCCC)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-5-7-8-11(9(3)4)10(12)13-6-2/h3,5-8H2,1-2,4H3
InChIKeyWIEAQJTUMKVZOQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.78
Rot. Bonds5

About ethyl N-butyl-N-prop-1-en-2-ylcarbamate

ethyl N-butyl-N-prop-1-en-2-ylcarbamate (PubChem CID 76764594) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl N-butyl-N-prop-1-en-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-butyl-N-prop-1-en-2-ylcarbamate
PubChem CID76764594
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl N-butyl-N-prop-1-en-2-ylcarbamate
SMILESC=C(C)N(CCCC)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-5-7-8-11(9(3)4)10(12)13-6-2/h3,5-8H2,1-2,4H3
InChIKeyWIEAQJTUMKVZOQ-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate
CID 11816252
3-Butyl-4-methyl-1,3-oxazol-2-one
CID 24823554
ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate
CID 101149474
ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate
CID 101149478
2-methoxyethyl N-methyl-N-[2-[methyl(prop-1-en-2-yl)amino]ethyl]carbamate
CID 117985700
2-cyanoethyl N-propan-2-yl-N-prop-1-en-2-ylcarbamate
CID 164011418
3-Prop-1-en-2-yl-1,3-oxazinan-2-one
CID 171846286
4-Methyl-3-propyl-1,3-oxazol-2-one
CID 13867466
Ethyl 2-methylidenepyrrolidine-1-carboxylate
CID 15313147
ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate
CID 102497518

Frequently Asked Questions

What is the IUPAC name of ethyl N-butyl-N-prop-1-en-2-ylcarbamate?
The IUPAC name of ethyl N-butyl-N-prop-1-en-2-ylcarbamate (CID 76764594) is ethyl N-butyl-N-prop-1-en-2-ylcarbamate.
What is the SMILES notation for ethyl N-butyl-N-prop-1-en-2-ylcarbamate?
The canonical SMILES for ethyl N-butyl-N-prop-1-en-2-ylcarbamate is C=C(C)N(CCCC)C(=O)OCC.
What is the InChIKey of ethyl N-butyl-N-prop-1-en-2-ylcarbamate?
The InChIKey is WIEAQJTUMKVZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7-8-11(9(3)4)10(12)13-6-2/h3,5-8H2,1-2,4H3.
What are the key properties of ethyl N-butyl-N-prop-1-en-2-ylcarbamate?
ethyl N-butyl-N-prop-1-en-2-ylcarbamate has a molecular weight of 185.27 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-butyl-N-prop-1-en-2-ylcarbamate is sourced from PubChem (CID 76764594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).