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

C9H15NO — CID 91144904

IUPAC4-(ethylideneamino)-2-methylhex-4-en-3-one
SMILESCC=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-QAMTZMKGSA-N
MW153.22 g/mol
LogP2.21
Rot. Bonds3

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

4-(ethylideneamino)-2-methylhex-4-en-3-one (PubChem CID 91144904) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-(ethylideneamino)-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name4-(ethylideneamino)-2-methylhex-4-en-3-one
PubChem CID91144904
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-(ethylideneamino)-2-methylhex-4-en-3-one
SMILESCC=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-QAMTZMKGSA-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 4-(ethylideneamino)-2-methylhex-4-en-3-one?
The IUPAC name of 4-(ethylideneamino)-2-methylhex-4-en-3-one (CID 91144904) is 4-(ethylideneamino)-2-methylhex-4-en-3-one.
What is the SMILES notation for 4-(ethylideneamino)-2-methylhex-4-en-3-one?
The canonical SMILES for 4-(ethylideneamino)-2-methylhex-4-en-3-one is CC=C(/N=C/C)C(=O)C(C)C.
What is the InChIKey of 4-(ethylideneamino)-2-methylhex-4-en-3-one?
The InChIKey is LERDSSPVYKHVNJ-QAMTZMKGSA-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 4-(ethylideneamino)-2-methylhex-4-en-3-one?
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 4-(ethylideneamino)-2-methylhex-4-en-3-one is sourced from PubChem (CID 91144904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).