2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol

C16H23NO — CID 115115348

IUPAC2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)CCN2C1CCCC1
InChIInChI=1S/C16H23NO/c1-16(2,18)13-7-8-15-12(11-13)9-10-17(15)14-5-3-4-6-14/h7-8,11,14,18H,3-6,9-10H2,1-2H3
InChIKeyZGMKVEMFFDPONR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.22
Rot. Bonds2

About 2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol

2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol (PubChem CID 115115348) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol
PubChem CID115115348
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)CCN2C1CCCC1
InChIInChI=1S/C16H23NO/c1-16(2,18)13-7-8-15-12(11-13)9-10-17(15)14-5-3-4-6-14/h7-8,11,14,18H,3-6,9-10H2,1-2H3
InChIKeyZGMKVEMFFDPONR-UHFFFAOYSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclohexyl-2,3-dihydroindol-5-yl)ethanol
CID 117118466
2-(1-cyclohexyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 117118471
(1-cyclopentyl-2,3-dihydroindol-5-yl)methanamine
CID 115115353
1-cyclohexyl-5-ethenyl-2,3-dihydroindole
CID 66772198
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)ethanamine
CID 115115356
(1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine
CID 115115080
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]hydroxylamine
CID 89110073
1-[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120858326
(3aR)-7-bromo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline
CID 163673039
1-cyclohexyl-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 114194209
N-(1-cyclohexyl-2,3-dihydroindol-6-yl)acetamide
CID 142743455

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol?
The IUPAC name of 2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol (CID 115115348) is 2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol?
The canonical SMILES for 2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol is CC(C)(O)c1ccc2c(c1)CCN2C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol?
The InChIKey is ZGMKVEMFFDPONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2,18)13-7-8-15-12(11-13)9-10-17(15)14-5-3-4-6-14/h7-8,11,14,18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol?
2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol has a molecular weight of 245.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-2,3-dihydroindol-5-yl)propan-2-ol is sourced from PubChem (CID 115115348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).