(Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one

C9H15NO — CID 91411582

IUPAC(Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one
SMILESC/C=C(\N=C\C)C(=O)C(C)C
InChIInChI=1S/C9H15NO/c1-5-8(10-6-2)9(11)7(3)4/h5-7H,1-4H3/b8-5-,10-6+
InChIKeyLERDSSPVYKHVNJ-YBMVAOSUSA-N
MW153.22 g/mol
LogP2.21
Rot. Bonds3

About (Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one

(Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one (PubChem CID 91411582) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one
PubChem CID91411582
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one
SMILESC/C=C(\N=C\C)C(=O)C(C)C
InChIInChI=1S/C9H15NO/c1-5-8(10-6-2)9(11)7(3)4/h5-7H,1-4H3/b8-5-,10-6+
InChIKeyLERDSSPVYKHVNJ-YBMVAOSUSA-N
XLogP2.21
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
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)-4-(ethylideneamino)-2-methylhex-4-en-3-one?
The IUPAC name of (Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one (CID 91411582) is (Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one.
What is the SMILES notation for (Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one?
The canonical SMILES for (Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one is C/C=C(\N=C\C)C(=O)C(C)C.
What is the InChIKey of (Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one?
The InChIKey is LERDSSPVYKHVNJ-YBMVAOSUSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-8(10-6-2)9(11)7(3)4/h5-7H,1-4H3/b8-5-,10-6+.
What are the key properties of (Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one?
(Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one has a molecular weight of 153.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(ethylideneamino)-2-methylhex-4-en-3-one is sourced from PubChem (CID 91411582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).