3-carbazol-9-ylcycloheptane-1,2-diol

C19H21NO2 — CID 126531025

IUPAC3-carbazol-9-ylcycloheptane-1,2-diol
SMILESOC1CCCCC(n2c3ccccc3c3ccccc32)C1O
InChIInChI=1S/C19H21NO2/c21-18-12-6-5-11-17(19(18)22)20-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20/h1-4,7-10,17-19,21-22H,5-6,11-12H2
InChIKeyMAVMQAZCPNXSSN-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.63
Rot. Bonds1

About 3-carbazol-9-ylcycloheptane-1,2-diol

3-carbazol-9-ylcycloheptane-1,2-diol (PubChem CID 126531025) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-carbazol-9-ylcycloheptane-1,2-diol.

Molecular Properties

Compound Name3-carbazol-9-ylcycloheptane-1,2-diol
PubChem CID126531025
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-carbazol-9-ylcycloheptane-1,2-diol
SMILESOC1CCCCC(n2c3ccccc3c3ccccc32)C1O
InChIInChI=1S/C19H21NO2/c21-18-12-6-5-11-17(19(18)22)20-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20/h1-4,7-10,17-19,21-22H,5-6,11-12H2
InChIKeyMAVMQAZCPNXSSN-UHFFFAOYSA-N
XLogP3.63
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-3-carbazol-9-ylcycloheptane-1,2-diol
CID 140895217
3-carbazol-9-ylcyclohexane-1,2-diol
CID 123529337
2-amino-6-carbazol-9-ylcyclohexan-1-ol
CID 123469033
trans-(1S,6R)-2-azido-6-carbazol-9-ylcyclohexan-1-ol
CID 134238564
9-cyclononylcarbazole
CID 139570160
9-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)carbazole
CID 91143240
(3S,4S)-4-carbazol-9-ylpiperidin-3-ol
CID 76902154
9-cyclobutylcarbazole
CID 66713557
9H-carbazole;(1R,2S,3R)-3-carbazol-9-ylcyclohexane-1,2-diol;9-[(1R)-cyclohex-2-en-1-yl]carbazole;3-ethenylcyclohexene
CID 157235846
2-carbazol-9-yl-6-[(N-methyl-S-phenylsulfonimidoyl)amino]cyclohexan-1-ol
CID 166592581
9-cyclopentylcarbazol-3-amine
CID 150164396
9-(2,5-dimethylcyclohexyl)carbazole
CID 118351552

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-ylcycloheptane-1,2-diol?
The IUPAC name of 3-carbazol-9-ylcycloheptane-1,2-diol (CID 126531025) is 3-carbazol-9-ylcycloheptane-1,2-diol.
What is the SMILES notation for 3-carbazol-9-ylcycloheptane-1,2-diol?
The canonical SMILES for 3-carbazol-9-ylcycloheptane-1,2-diol is OC1CCCCC(n2c3ccccc3c3ccccc32)C1O.
What is the InChIKey of 3-carbazol-9-ylcycloheptane-1,2-diol?
The InChIKey is MAVMQAZCPNXSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18-12-6-5-11-17(19(18)22)20-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20/h1-4,7-10,17-19,21-22H,5-6,11-12H2.
What are the key properties of 3-carbazol-9-ylcycloheptane-1,2-diol?
3-carbazol-9-ylcycloheptane-1,2-diol has a molecular weight of 295.38 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-ylcycloheptane-1,2-diol is sourced from PubChem (CID 126531025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).