N-but-1-en-2-yl-N-ethylpropanamide

C9H17NO — CID 167300058

IUPACN-but-1-en-2-yl-N-ethylpropanamide
SMILESC=C(CC)N(CC)C(=O)CC
InChIInChI=1S/C9H17NO/c1-5-8(4)10(7-3)9(11)6-2/h4-7H2,1-3H3
InChIKeyLPPJZWCLPCCRDV-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.17
Rot. Bonds4

About N-but-1-en-2-yl-N-ethylpropanamide

N-but-1-en-2-yl-N-ethylpropanamide (PubChem CID 167300058) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-but-1-en-2-yl-N-ethylpropanamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-N-ethylpropanamide
PubChem CID167300058
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-but-1-en-2-yl-N-ethylpropanamide
SMILESC=C(CC)N(CC)C(=O)CC
InChIInChI=1S/C9H17NO/c1-5-8(4)10(7-3)9(11)6-2/h4-7H2,1-3H3
InChIKeyLPPJZWCLPCCRDV-UHFFFAOYSA-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-but-1-en-2-yl-N-ethylpropanamide?
The IUPAC name of N-but-1-en-2-yl-N-ethylpropanamide (CID 167300058) is N-but-1-en-2-yl-N-ethylpropanamide.
What is the SMILES notation for N-but-1-en-2-yl-N-ethylpropanamide?
The canonical SMILES for N-but-1-en-2-yl-N-ethylpropanamide is C=C(CC)N(CC)C(=O)CC.
What is the InChIKey of N-but-1-en-2-yl-N-ethylpropanamide?
The InChIKey is LPPJZWCLPCCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(4)10(7-3)9(11)6-2/h4-7H2,1-3H3.
What are the key properties of N-but-1-en-2-yl-N-ethylpropanamide?
N-but-1-en-2-yl-N-ethylpropanamide 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-but-1-en-2-yl-N-ethylpropanamide is sourced from PubChem (CID 167300058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).