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

C10H19NO — CID 13169227

IUPACN-butyl-N-[(E)-prop-1-enyl]propanamide
SMILESC/C=C/N(CCCC)C(=O)CC
InChIInChI=1S/C10H19NO/c1-4-7-9-11(8-5-2)10(12)6-3/h5,8H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyLMCOOXIEJIHMQT-VMPITWQZSA-N
MW169.27 g/mol
LogP2.56
Rot. Bonds5

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

N-butyl-N-[(E)-prop-1-enyl]propanamide (PubChem CID 13169227) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-butyl-N-[(E)-prop-1-enyl]propanamide.

Molecular Properties

Compound NameN-butyl-N-[(E)-prop-1-enyl]propanamide
PubChem CID13169227
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-butyl-N-[(E)-prop-1-enyl]propanamide
SMILESC/C=C/N(CCCC)C(=O)CC
InChIInChI=1S/C10H19NO/c1-4-7-9-11(8-5-2)10(12)6-3/h5,8H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyLMCOOXIEJIHMQT-VMPITWQZSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.56
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]propanamide?
The IUPAC name of N-butyl-N-[(E)-prop-1-enyl]propanamide (CID 13169227) is N-butyl-N-[(E)-prop-1-enyl]propanamide.
What is the SMILES notation for N-butyl-N-[(E)-prop-1-enyl]propanamide?
The canonical SMILES for N-butyl-N-[(E)-prop-1-enyl]propanamide is C/C=C/N(CCCC)C(=O)CC.
What is the InChIKey of N-butyl-N-[(E)-prop-1-enyl]propanamide?
The InChIKey is LMCOOXIEJIHMQT-VMPITWQZSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-7-9-11(8-5-2)10(12)6-3/h5,8H,4,6-7,9H2,1-3H3/b8-5+.
What are the key properties of N-butyl-N-[(E)-prop-1-enyl]propanamide?
N-butyl-N-[(E)-prop-1-enyl]propanamide has a molecular weight of 169.27 g/mol, XLogP of 2.56, 5 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]propanamide is sourced from PubChem (CID 13169227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).