2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol

C15H21NO — CID 117118731

IUPAC2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol
SMILESCC(CO)c1ccc2c(c1)CCN2CC1CC1
InChIInChI=1S/C15H21NO/c1-11(10-17)13-4-5-15-14(8-13)6-7-16(15)9-12-2-3-12/h4-5,8,11-12,17H,2-3,6-7,9-10H2,1H3
InChIKeyXGINXDVHJVKORM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.55
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol

2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol (PubChem CID 117118731) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol
PubChem CID117118731
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol
SMILESCC(CO)c1ccc2c(c1)CCN2CC1CC1
InChIInChI=1S/C15H21NO/c1-11(10-17)13-4-5-15-14(8-13)6-7-16(15)9-12-2-3-12/h4-5,8,11-12,17H,2-3,6-7,9-10H2,1H3
InChIKeyXGINXDVHJVKORM-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenethyl alcohol, beta-methyl-4-piperidino-
CID 215989
(Indolin-3-yl)methanol
CID 22392033
2-(7-ethyl-2,3-dihydro-1H-indol-3-yl)ethanol
CID 14146229
(2,3-dihydro-1H-indol-3-yl)methanol hydrochloride
CID 119032082
[1,3-dimethyl-5-(trifluoromethyl)-2H-indol-3-yl]methanol
CID 155936642
[(1S,2S,3R)-2-[4-(dimethylamino)phenyl]-3-fluorocyclopropyl]methanol
CID 177850369
N-acetyl-2-hydroxy-3,3-dimethylindoline
CID 353186
(3,7-Dimethyl-1,2-dihydroindol-3-yl)methanol
CID 91988086
(3,5-Dimethyl-1,2-dihydroindol-3-yl)methanol
CID 91988214
(3-methyl-1-phenyl-2H-indol-3-yl)methanol
CID 101584772
Dioxyindoline
CID 17897876
1-Hydroxyethyl-3,3-dimethyl-2-methyleneindoline
CID 20400405

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol?
The IUPAC name of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol (CID 117118731) is 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol is CC(CO)c1ccc2c(c1)CCN2CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol?
The InChIKey is XGINXDVHJVKORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(10-17)13-4-5-15-14(8-13)6-7-16(15)9-12-2-3-12/h4-5,8,11-12,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol?
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol is sourced from PubChem (CID 117118731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).