N-butyl-N-[(E)-prop-1-enyl]acetamide

C9H17NO — CID 13169222

IUPACN-butyl-N-[(E)-prop-1-enyl]acetamide
SMILESC/C=C/N(CCCC)C(C)=O
InChIInChI=1S/C9H17NO/c1-4-6-8-10(7-5-2)9(3)11/h5,7H,4,6,8H2,1-3H3/b7-5+
InChIKeyUCGBGNHRBURHON-FNORWQNLSA-N
MW155.24 g/mol
LogP2.17
Rot. Bonds4

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

N-butyl-N-[(E)-prop-1-enyl]acetamide (PubChem CID 13169222) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-butyl-N-[(E)-prop-1-enyl]acetamide.

Molecular Properties

Compound NameN-butyl-N-[(E)-prop-1-enyl]acetamide
PubChem CID13169222
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-butyl-N-[(E)-prop-1-enyl]acetamide
SMILESC/C=C/N(CCCC)C(C)=O
InChIInChI=1S/C9H17NO/c1-4-6-8-10(7-5-2)9(3)11/h5,7H,4,6,8H2,1-3H3/b7-5+
InChIKeyUCGBGNHRBURHON-FNORWQNLSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(E)-prop-1-enyl]acetamide?
The IUPAC name of N-butyl-N-[(E)-prop-1-enyl]acetamide (CID 13169222) is N-butyl-N-[(E)-prop-1-enyl]acetamide.
What is the SMILES notation for N-butyl-N-[(E)-prop-1-enyl]acetamide?
The canonical SMILES for N-butyl-N-[(E)-prop-1-enyl]acetamide is C/C=C/N(CCCC)C(C)=O.
What is the InChIKey of N-butyl-N-[(E)-prop-1-enyl]acetamide?
The InChIKey is UCGBGNHRBURHON-FNORWQNLSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-8-10(7-5-2)9(3)11/h5,7H,4,6,8H2,1-3H3/b7-5+.
What are the key properties of N-butyl-N-[(E)-prop-1-enyl]acetamide?
N-butyl-N-[(E)-prop-1-enyl]acetamide has a molecular weight of 155.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(E)-prop-1-enyl]acetamide is sourced from PubChem (CID 13169222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).