2-(5-aminopentyl)-2,3-dihydroinden-1-one

C14H19NO — CID 23389014

IUPAC2-(5-aminopentyl)-2,3-dihydroinden-1-one
SMILESNCCCCCC1Cc2ccccc2C1=O
InChIInChI=1S/C14H19NO/c15-9-5-1-2-7-12-10-11-6-3-4-8-13(11)14(12)16/h3-4,6,8,12H,1-2,5,7,9-10,15H2
InChIKeyZMNUYYYZRAVOOQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.56
Rot. Bonds5

About 2-(5-aminopentyl)-2,3-dihydroinden-1-one

2-(5-aminopentyl)-2,3-dihydroinden-1-one (PubChem CID 23389014) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(5-aminopentyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(5-aminopentyl)-2,3-dihydroinden-1-one
PubChem CID23389014
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(5-aminopentyl)-2,3-dihydroinden-1-one
SMILESNCCCCCC1Cc2ccccc2C1=O
InChIInChI=1S/C14H19NO/c15-9-5-1-2-7-12-10-11-6-3-4-8-13(11)14(12)16/h3-4,6,8,12H,1-2,5,7,9-10,15H2
InChIKeyZMNUYYYZRAVOOQ-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-aminopentyl)-2,3-dihydroinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoroethyl)-2,3-dihydroinden-1-one
CID 80695760
(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
CID 910021
2-(6-bromohexyl)-2,3-dihydronaphthalene-1,4-dione
CID 156849566
2-(methoxymethyl)-2,3-dihydroinden-1-one
CID 71409050
9H-fluorene;hexane-1,6-diamine
CID 19108206
6-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)hexanoic acid
CID 18623264
2-[2-(2-nitrophenyl)ethyl]-2,3-dihydroinden-1-one
CID 63062296
(2S)-2-but-2-enyl-2,3-dihydroinden-1-one
CID 67713890
2-[(4-methylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544000
2-(3-hydroxypropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 79429583
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544001
(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one
CID 129365333

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopentyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(5-aminopentyl)-2,3-dihydroinden-1-one (CID 23389014) is 2-(5-aminopentyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(5-aminopentyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(5-aminopentyl)-2,3-dihydroinden-1-one is NCCCCCC1Cc2ccccc2C1=O.
What is the InChIKey of 2-(5-aminopentyl)-2,3-dihydroinden-1-one?
The InChIKey is ZMNUYYYZRAVOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-9-5-1-2-7-12-10-11-6-3-4-8-13(11)14(12)16/h3-4,6,8,12H,1-2,5,7,9-10,15H2.
What are the key properties of 2-(5-aminopentyl)-2,3-dihydroinden-1-one?
2-(5-aminopentyl)-2,3-dihydroinden-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopentyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 23389014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).