2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene

C15H18 — CID 158734941

IUPAC2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene
SMILESCCCC#Cc1ccc2c(c1)CC(C)C2
InChIInChI=1S/C15H18/c1-3-4-5-6-13-7-8-14-9-12(2)10-15(14)11-13/h7-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyARPDQHGDRHBEFP-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.57
Rot. Bonds1

About 2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene

2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene (PubChem CID 158734941) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene
PubChem CID158734941
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene
SMILESCCCC#Cc1ccc2c(c1)CC(C)C2
InChIInChI=1S/C15H18/c1-3-4-5-6-13-7-8-14-9-12(2)10-15(14)11-13/h7-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyARPDQHGDRHBEFP-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene 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

(3-pent-1-ynylphenyl)methanol
CID 11159609
2-chloro-1-methyl-4-pent-1-ynylbenzene
CID 130055675
1-pent-1-ynyl-3-phenylbenzene
CID 177471629
6-pent-1-ynylnaphthalen-2-ol
CID 123520256
heptane;2-methyl-2,3-dihydro-1H-inden-5-ol
CID 144683949
1-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione
CID 62966319
1-butyl-3-pent-1-ynylbenzene
CID 145057791
1-methyl-3-(3-pent-1-ynylphenyl)benzene
CID 123340302
3-pent-1-ynylbenzenesulfonamide
CID 166976243
4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine
CID 116641482
1-pent-1-ynyl-4-(trifluoromethyl)benzene
CID 68880068
1-chloro-4-(4-pent-1-ynylphenyl)benzene
CID 19386294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene?
The IUPAC name of 2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene (CID 158734941) is 2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene?
The canonical SMILES for 2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene is CCCC#Cc1ccc2c(c1)CC(C)C2.
What is the InChIKey of 2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene?
The InChIKey is ARPDQHGDRHBEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-3-4-5-6-13-7-8-14-9-12(2)10-15(14)11-13/h7-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene?
2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene has a molecular weight of 198.31 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 158734941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).