(Z)-3-(ethylideneamino)-N-methylpent-2-enamide

C8H14N2O — CID 91148463

IUPAC(Z)-3-(ethylideneamino)-N-methylpent-2-enamide
SMILESC/C=N/C(=C\C(=O)NC)CC
InChIInChI=1S/C8H14N2O/c1-4-7(10-5-2)6-8(11)9-3/h5-6H,4H2,1-3H3,(H,9,11)/b7-6-,10-5+
InChIKeyOBYLCISHNJNGAI-JQEGGOPCSA-N
MW154.21 g/mol
LogP1.12
Rot. Bonds3

About (Z)-3-(ethylideneamino)-N-methylpent-2-enamide

(Z)-3-(ethylideneamino)-N-methylpent-2-enamide (PubChem CID 91148463) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z)-3-(ethylideneamino)-N-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-3-(ethylideneamino)-N-methylpent-2-enamide
PubChem CID91148463
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(Z)-3-(ethylideneamino)-N-methylpent-2-enamide
SMILESC/C=N/C(=C\C(=O)NC)CC
InChIInChI=1S/C8H14N2O/c1-4-7(10-5-2)6-8(11)9-3/h5-6H,4H2,1-3H3,(H,9,11)/b7-6-,10-5+
InChIKeyOBYLCISHNJNGAI-JQEGGOPCSA-N
XLogP1.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(ethylideneamino)-N-methylpent-2-enamide?
The IUPAC name of (Z)-3-(ethylideneamino)-N-methylpent-2-enamide (CID 91148463) is (Z)-3-(ethylideneamino)-N-methylpent-2-enamide.
What is the SMILES notation for (Z)-3-(ethylideneamino)-N-methylpent-2-enamide?
The canonical SMILES for (Z)-3-(ethylideneamino)-N-methylpent-2-enamide is C/C=N/C(=C\C(=O)NC)CC.
What is the InChIKey of (Z)-3-(ethylideneamino)-N-methylpent-2-enamide?
The InChIKey is OBYLCISHNJNGAI-JQEGGOPCSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-7(10-5-2)6-8(11)9-3/h5-6H,4H2,1-3H3,(H,9,11)/b7-6-,10-5+.
What are the key properties of (Z)-3-(ethylideneamino)-N-methylpent-2-enamide?
(Z)-3-(ethylideneamino)-N-methylpent-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(ethylideneamino)-N-methylpent-2-enamide is sourced from PubChem (CID 91148463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).