cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol

C15H21NO — CID 63900130

IUPACcyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCN1CCc2cc(C(O)C3CCCC3)ccc21
InChIInChI=1S/C15H21NO/c1-16-9-8-12-10-13(6-7-14(12)16)15(17)11-4-2-3-5-11/h6-7,10-11,15,17H,2-5,8-9H2,1H3
InChIKeyBLCOQBBXMBSRMY-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.90
Rot. Bonds2

About cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol

cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol (PubChem CID 63900130) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol.

Molecular Properties

Compound Namecyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
PubChem CID63900130
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Namecyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
SMILESCN1CCc2cc(C(O)C3CCCC3)ccc21
InChIInChI=1S/C15H21NO/c1-16-9-8-12-10-13(6-7-14(12)16)15(17)11-4-2-3-5-11/h6-7,10-11,15,17H,2-5,8-9H2,1H3
InChIKeyBLCOQBBXMBSRMY-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.90
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

6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106320
(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63893497
1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea
CID 129373790
N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 129373749
1-(1-methyl-2,3-dihydroindol-5-yl)-2-propan-2-yloxyethanol
CID 79567530
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65380739
3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
cyclooctyl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65023370
furan-3-yl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63948147
3-hydroxy-2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132572
3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138006

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The IUPAC name of cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol (CID 63900130) is cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol.
What is the SMILES notation for cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The canonical SMILES for cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol is CN1CCc2cc(C(O)C3CCCC3)ccc21.
What is the InChIKey of cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
The InChIKey is BLCOQBBXMBSRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16-9-8-12-10-13(6-7-14(12)16)15(17)11-4-2-3-5-11/h6-7,10-11,15,17H,2-5,8-9H2,1H3.
What are the key properties of cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol?
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol has a molecular weight of 231.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol is sourced from PubChem (CID 63900130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).