9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one

C16H18ClNO2 — CID 11837050

IUPAC9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccc2c(c1)c1c(n2CC(O)CCl)C(=O)CCC1
InChIInChI=1S/C16H18ClNO2/c1-10-5-6-14-13(7-10)12-3-2-4-15(20)16(12)18(14)9-11(19)8-17/h5-7,11,19H,2-4,8-9H2,1H3
InChIKeyNYIJGEIVJNPFEI-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.07
Rot. Bonds3

About 9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one

9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 11837050) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID11837050
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCc1ccc2c(c1)c1c(n2CC(O)CCl)C(=O)CCC1
InChIInChI=1S/C16H18ClNO2/c1-10-5-6-14-13(7-10)12-3-2-4-15(20)16(12)18(14)9-11(19)8-17/h5-7,11,19H,2-4,8-9H2,1H3
InChIKeyNYIJGEIVJNPFEI-UHFFFAOYSA-N
XLogP3.07
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,6-Diacetyl-9-ethylcarbazole
CID 622083
1-(1,3-Dimethyl-1H-indol-2-yl)butan-1-one
CID 874753
2-(2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)-1H-indol-5-yl)-N,N,2-trimethylpropanamide
CID 25101676
(9-Pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
(9-Ethyl-carbazol-3-yl)(p-methylphenyl)methanone
CID 71679265
3-Acetyl-9-methylcarbazole
CID 274869
Ethanone, 1-(1,3-dimethyl-1H-indol-2-yl)-
CID 599118
9-ethyl-9H-carbazole-3,6-dicarbaldehyde
CID 3716675
9-[3-(4-acetyl-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
CID 652924
1-(9-isobutyl-9H-carbazol-3-yl)ethanone
CID 2197385
2-chloro-1-(1-ethyl-2-phenyl-1H-indol-3-yl)ethanone
CID 2378273
9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
CID 2839057

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one (CID 11837050) is 9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one is Cc1ccc2c(c1)c1c(n2CC(O)CCl)C(=O)CCC1.
What is the InChIKey of 9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is NYIJGEIVJNPFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10-5-6-14-13(7-10)12-3-2-4-15(20)16(12)18(14)9-11(19)8-17/h5-7,11,19H,2-4,8-9H2,1H3.
What are the key properties of 9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one?
9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 291.78 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 11837050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).