1-indolizin-2-ylhexan-1-one

C14H17NO — CID 11333386

IUPAC1-indolizin-2-ylhexan-1-one
SMILESCCCCCC(=O)c1cc2ccccn2c1
InChIInChI=1S/C14H17NO/c1-2-3-4-8-14(16)12-10-13-7-5-6-9-15(13)11-12/h5-7,9-11H,2-4,8H2,1H3
InChIKeyQOWADOSVXYJKQK-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.70
Rot. Bonds5

About 1-indolizin-2-ylhexan-1-one

1-indolizin-2-ylhexan-1-one (PubChem CID 11333386) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-indolizin-2-ylhexan-1-one.

Molecular Properties

Compound Name1-indolizin-2-ylhexan-1-one
PubChem CID11333386
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-indolizin-2-ylhexan-1-one
SMILESCCCCCC(=O)c1cc2ccccn2c1
InChIInChI=1S/C14H17NO/c1-2-3-4-8-14(16)12-10-13-7-5-6-9-15(13)11-12/h5-7,9-11H,2-4,8H2,1H3
InChIKeyQOWADOSVXYJKQK-UHFFFAOYSA-N
XLogP3.70
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylheptadecan-1-one
CID 577626
1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
1-(2-pyrrol-1-ylphenyl)hexan-1-one
CID 20721022
ethane;1-phenylpentan-1-one
CID 143728184
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
1-[1-(benzenesulfonyl)pyrrol-3-yl]hexadecan-1-one
CID 13451139
1-(3-acetylphenyl)nonan-1-one
CID 159969230
1-(3-bromophenyl)dodecan-1-one
CID 146009457
1-(1-phenylpyrazol-4-yl)heptan-1-one
CID 114752131
N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide
CID 71987074

Frequently Asked Questions

What is the IUPAC name of 1-indolizin-2-ylhexan-1-one?
The IUPAC name of 1-indolizin-2-ylhexan-1-one (CID 11333386) is 1-indolizin-2-ylhexan-1-one.
What is the SMILES notation for 1-indolizin-2-ylhexan-1-one?
The canonical SMILES for 1-indolizin-2-ylhexan-1-one is CCCCCC(=O)c1cc2ccccn2c1.
What is the InChIKey of 1-indolizin-2-ylhexan-1-one?
The InChIKey is QOWADOSVXYJKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-4-8-14(16)12-10-13-7-5-6-9-15(13)11-12/h5-7,9-11H,2-4,8H2,1H3.
What are the key properties of 1-indolizin-2-ylhexan-1-one?
1-indolizin-2-ylhexan-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indolizin-2-ylhexan-1-one is sourced from PubChem (CID 11333386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).