1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol

C14H15NO — CID 20665163

IUPAC1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol
SMILESCC1(C)CNc2ccc3c(O)cccc3c21
InChIInChI=1S/C14H15NO/c1-14(2)8-15-11-7-6-9-10(13(11)14)4-3-5-12(9)16/h3-7,15-16H,8H2,1-2H3
InChIKeyUJBKUQXDJDVFND-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.25
Rot. Bonds

About 1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol

1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol (PubChem CID 20665163) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol.

Molecular Properties

Compound Name1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol
PubChem CID20665163
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol
SMILESCC1(C)CNc2ccc3c(O)cccc3c21
InChIInChI=1S/C14H15NO/c1-14(2)8-15-11-7-6-9-10(13(11)14)4-3-5-12(9)16/h3-7,15-16H,8H2,1-2H3
InChIKeyUJBKUQXDJDVFND-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol?
The IUPAC name of 1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol (CID 20665163) is 1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol.
What is the SMILES notation for 1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol?
The canonical SMILES for 1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol is CC1(C)CNc2ccc3c(O)cccc3c21.
What is the InChIKey of 1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol?
The InChIKey is UJBKUQXDJDVFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-14(2)8-15-11-7-6-9-10(13(11)14)4-3-5-12(9)16/h3-7,15-16H,8H2,1-2H3.
What are the key properties of 1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol?
1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol has a molecular weight of 213.28 g/mol, XLogP of 3.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3-dihydrobenzo[e]indol-6-ol is sourced from PubChem (CID 20665163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).