[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol

C14H17NO — CID 116842664

IUPAC[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)CC1(CO)c1c[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-13(2)8-14(13,9-16)11-7-15-12-6-4-3-5-10(11)12/h3-7,15-16H,8-9H2,1-2H3
InChIKeyRLJUWRJIVPJCNM-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.83
Rot. Bonds2

About [1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol

[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol (PubChem CID 116842664) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol
PubChem CID116842664
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)CC1(CO)c1c[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-13(2)8-14(13,9-16)11-7-15-12-6-4-3-5-10(11)12/h3-7,15-16H,8-9H2,1-2H3
InChIKeyRLJUWRJIVPJCNM-UHFFFAOYSA-N
XLogP2.83
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842313
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine
CID 164664078
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084670
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid
CID 67713185
1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 166303520
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965535
3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one
CID 53348525
(2S,3R,4R,5R,6R)-5-chloro-6-(hydroxymethyl)-4-(1H-indol-3-yl)oxane-2,3,4,5-tetrol
CID 57166169
N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209079

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol?
The IUPAC name of [1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol (CID 116842664) is [1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol.
What is the SMILES notation for [1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol?
The canonical SMILES for [1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol is CC1(C)CC1(CO)c1c[nH]c2ccccc12.
What is the InChIKey of [1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol?
The InChIKey is RLJUWRJIVPJCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-13(2)8-14(13,9-16)11-7-15-12-6-4-3-5-10(11)12/h3-7,15-16H,8-9H2,1-2H3.
What are the key properties of [1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol?
[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol has a molecular weight of 215.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol is sourced from PubChem (CID 116842664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).