5-phenyl-5-propan-2-yliminopentan-2-one

C14H19NO — CID 10376064

IUPAC5-phenyl-5-propan-2-yliminopentan-2-one
SMILESCC(=O)CC/C(=N\C(C)C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-11(2)15-14(10-9-12(3)16)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/b15-14+
InChIKeyQMZYZJCMXYDHGA-CCEZHUSRSA-N
MW217.31 g/mol
LogP3.25
Rot. Bonds5

About 5-phenyl-5-propan-2-yliminopentan-2-one

5-phenyl-5-propan-2-yliminopentan-2-one (PubChem CID 10376064) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-phenyl-5-propan-2-yliminopentan-2-one.

Molecular Properties

Compound Name5-phenyl-5-propan-2-yliminopentan-2-one
PubChem CID10376064
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-phenyl-5-propan-2-yliminopentan-2-one
SMILESCC(=O)CC/C(=N\C(C)C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-11(2)15-14(10-9-12(3)16)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/b15-14+
InChIKeyQMZYZJCMXYDHGA-CCEZHUSRSA-N
XLogP3.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
5-(benzhydrylideneamino)hexan-2-one
CID 21343384
4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
CID 2834574
(4-oxo-1-phenylpentylidene)-phenylsulfanium
CID 134877117
1-phenylheptane-1,6-dione
CID 11333176
pentan-2-one;1-phenylethanone
CID 142883835
(2R)-2-hydroxy-1-phenylhexane-1,5-dione
CID 125485700
1-phenyldecane-1,3,6,9-tetrone
CID 132518013
[(E)-[(5Z)-5-acetyloxyimino-5-phenylpentan-2-ylidene]amino] acetate
CID 87328863
N-propan-2-ylbenzenecarboximidoyl chloride
CID 7131025
(E)-1-hydroxy-5-oxo-1-phenylhex-1-ene-2-diazonium
CID 10488894
(4Z)-4-hydrazinylidene-4-phenylbutanoic acid
CID 5406458

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5-propan-2-yliminopentan-2-one?
The IUPAC name of 5-phenyl-5-propan-2-yliminopentan-2-one (CID 10376064) is 5-phenyl-5-propan-2-yliminopentan-2-one.
What is the SMILES notation for 5-phenyl-5-propan-2-yliminopentan-2-one?
The canonical SMILES for 5-phenyl-5-propan-2-yliminopentan-2-one is CC(=O)CC/C(=N\C(C)C)c1ccccc1.
What is the InChIKey of 5-phenyl-5-propan-2-yliminopentan-2-one?
The InChIKey is QMZYZJCMXYDHGA-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(2)15-14(10-9-12(3)16)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/b15-14+.
What are the key properties of 5-phenyl-5-propan-2-yliminopentan-2-one?
5-phenyl-5-propan-2-yliminopentan-2-one has a molecular weight of 217.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-propan-2-yliminopentan-2-one is sourced from PubChem (CID 10376064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).