ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate

C10H19NO2 — CID 102497518

IUPACethyl N-butyl-N-[(E)-prop-1-enyl]carbamate
SMILESC/C=C/N(CCCC)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-7-9-11(8-5-2)10(12)13-6-3/h5,8H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyKGVBKYCVDCNLLQ-VMPITWQZSA-N
MW185.27 g/mol
LogP2.78
Rot. Bonds5

About ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate

ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate (PubChem CID 102497518) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate.

Molecular Properties

Compound Nameethyl N-butyl-N-[(E)-prop-1-enyl]carbamate
PubChem CID102497518
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl N-butyl-N-[(E)-prop-1-enyl]carbamate
SMILESC/C=C/N(CCCC)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-7-9-11(8-5-2)10(12)13-6-3/h5,8H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyKGVBKYCVDCNLLQ-VMPITWQZSA-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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Frequently Asked Questions

What is the IUPAC name of ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate?
The IUPAC name of ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate (CID 102497518) is ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate.
What is the SMILES notation for ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate?
The canonical SMILES for ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate is C/C=C/N(CCCC)C(=O)OCC.
What is the InChIKey of ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate?
The InChIKey is KGVBKYCVDCNLLQ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-9-11(8-5-2)10(12)13-6-3/h5,8H,4,6-7,9H2,1-3H3/b8-5+.
What are the key properties of ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate?
ethyl N-butyl-N-[(E)-prop-1-enyl]carbamate 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-[(E)-prop-1-enyl]carbamate is sourced from PubChem (CID 102497518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).