(Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide

C9H15NO — CID 89179841

IUPAC(Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide
SMILESC/C=C\C(=C/C)C(=O)N(C)C
InChIInChI=1S/C9H15NO/c1-5-7-8(6-2)9(11)10(3)4/h5-7H,1-4H3/b7-5-,8-6+
InChIKeyQCRRGGKNVBGNOE-CGXWXWIYSA-N
MW153.22 g/mol
LogP1.60
Rot. Bonds2

About (Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide

(Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide (PubChem CID 89179841) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide
PubChem CID89179841
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide
SMILESC/C=C\C(=C/C)C(=O)N(C)C
InChIInChI=1S/C9H15NO/c1-5-7-8(6-2)9(11)10(3)4/h5-7H,1-4H3/b7-5-,8-6+
InChIKeyQCRRGGKNVBGNOE-CGXWXWIYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide?
The IUPAC name of (Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide (CID 89179841) is (Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide.
What is the SMILES notation for (Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide?
The canonical SMILES for (Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide is C/C=C\C(=C/C)C(=O)N(C)C.
What is the InChIKey of (Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide?
The InChIKey is QCRRGGKNVBGNOE-CGXWXWIYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-7-8(6-2)9(11)10(3)4/h5-7H,1-4H3/b7-5-,8-6+.
What are the key properties of (Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide?
(Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-N,N-dimethylpent-3-enamide is sourced from PubChem (CID 89179841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).