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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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).