4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol

C16H24N2O — CID 65077653

IUPAC4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(C2Cc3ccccc3N2)CC1
InChIInChI=1S/C16H24N2O/c1-2-18-10-5-8-16(19,9-11-18)15-12-13-6-3-4-7-14(13)17-15/h3-4,6-7,15,17,19H,2,5,8-12H2,1H3
InChIKeyVTIIOVZNULEKPQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.26
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol

4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol (PubChem CID 65077653) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol
PubChem CID65077653
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol
SMILESCCN1CCCC(O)(C2Cc3ccccc3N2)CC1
InChIInChI=1S/C16H24N2O/c1-2-18-10-5-8-16(19,9-11-18)15-12-13-6-3-4-7-14(13)17-15/h3-4,6-7,15,17,19H,2,5,8-12H2,1H3
InChIKeyVTIIOVZNULEKPQ-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol
CID 65075178
1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol
CID 65086096
4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
CID 65086041
3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
CID 80561154
1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
CID 65042027
1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855393
3-(2,3-dihydro-1H-indol-2-yl)pyrrolidin-3-ol
CID 65042492
3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol
CID 79949446
4-cyclopentyl-1-ethylazepan-4-ol
CID 65077802
(2S)-N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61156890
2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
CID 65041592
3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
CID 65042244

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol?
The IUPAC name of 4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol (CID 65077653) is 4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol is CCN1CCCC(O)(C2Cc3ccccc3N2)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol?
The InChIKey is VTIIOVZNULEKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-18-10-5-8-16(19,9-11-18)15-12-13-6-3-4-7-14(13)17-15/h3-4,6-7,15,17,19H,2,5,8-12H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol?
4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol has a molecular weight of 260.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol is sourced from PubChem (CID 65077653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).