ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate

C10H17NO2 — CID 11816252

IUPACethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate
SMILESC=CCCN(C(=C)C)C(=O)OCC
InChIInChI=1S/C10H17NO2/c1-5-7-8-11(9(3)4)10(12)13-6-2/h5H,1,3,6-8H2,2,4H3
InChIKeyZHHGRQIPLNXPEJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.55
Rot. Bonds5

About ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate

ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate (PubChem CID 11816252) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate
PubChem CID11816252
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate
SMILESC=CCCN(C(=C)C)C(=O)OCC
InChIInChI=1S/C10H17NO2/c1-5-7-8-11(9(3)4)10(12)13-6-2/h5H,1,3,6-8H2,2,4H3
InChIKeyZHHGRQIPLNXPEJ-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate?
The IUPAC name of ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate (CID 11816252) is ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate.
What is the SMILES notation for ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate?
The canonical SMILES for ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate is C=CCCN(C(=C)C)C(=O)OCC.
What is the InChIKey of ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate?
The InChIKey is ZHHGRQIPLNXPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-7-8-11(9(3)4)10(12)13-6-2/h5H,1,3,6-8H2,2,4H3.
What are the key properties of ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate?
ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate has a molecular weight of 183.25 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate is sourced from PubChem (CID 11816252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).