(E)-N,N-dipropylbut-2-enamide

C10H19NO — CID 21329403

IUPAC(E)-N,N-dipropylbut-2-enamide
SMILESC/C=C/C(=O)N(CCC)CCC
InChIInChI=1S/C10H19NO/c1-4-7-10(12)11(8-5-2)9-6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyMBCISOWSCPOAPY-QPJJXVBHSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds5

About (E)-N,N-dipropylbut-2-enamide

(E)-N,N-dipropylbut-2-enamide (PubChem CID 21329403) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-N,N-dipropylbut-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dipropylbut-2-enamide
PubChem CID21329403
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-N,N-dipropylbut-2-enamide
SMILESC/C=C/C(=O)N(CCC)CCC
InChIInChI=1S/C10H19NO/c1-4-7-10(12)11(8-5-2)9-6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyMBCISOWSCPOAPY-QPJJXVBHSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dipropylbut-2-enamide?
The IUPAC name of (E)-N,N-dipropylbut-2-enamide (CID 21329403) is (E)-N,N-dipropylbut-2-enamide.
What is the SMILES notation for (E)-N,N-dipropylbut-2-enamide?
The canonical SMILES for (E)-N,N-dipropylbut-2-enamide is C/C=C/C(=O)N(CCC)CCC.
What is the InChIKey of (E)-N,N-dipropylbut-2-enamide?
The InChIKey is MBCISOWSCPOAPY-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-7-10(12)11(8-5-2)9-6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+.
What are the key properties of (E)-N,N-dipropylbut-2-enamide?
(E)-N,N-dipropylbut-2-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dipropylbut-2-enamide is sourced from PubChem (CID 21329403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).