(5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone

C13H12ClNO2 — CID 63879050

IUPAC(5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone
SMILESO=C(c1c[nH]c2ccc(Cl)cc12)C1CCCO1
InChIInChI=1S/C13H12ClNO2/c14-8-3-4-11-9(6-8)10(7-15-11)13(16)12-2-1-5-17-12/h3-4,6-7,12,15H,1-2,5H2
InChIKeyBAASXIWMQPEGEQ-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.18
Rot. Bonds2

About (5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone

(5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone (PubChem CID 63879050) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone
PubChem CID63879050
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name(5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone
SMILESO=C(c1c[nH]c2ccc(Cl)cc12)C1CCCO1
InChIInChI=1S/C13H12ClNO2/c14-8-3-4-11-9(6-8)10(7-15-11)13(16)12-2-1-5-17-12/h3-4,6-7,12,15H,1-2,5H2
InChIKeyBAASXIWMQPEGEQ-UHFFFAOYSA-N
XLogP3.18
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63839972
(5-nitro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 62215299
oxolan-2-yl-(5-propoxy-1H-indol-3-yl)methanone
CID 80643741
(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
(7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 103474378
2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391989
1,4-dioxan-2-yl-(5-nitro-1H-indol-3-yl)methanone
CID 62799566
1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154973
1-(5-chloro-1H-indol-3-yl)octan-1-one
CID 63878518
1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
1-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
CID 113208208
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone (CID 63879050) is (5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone is O=C(c1c[nH]c2ccc(Cl)cc12)C1CCCO1.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone?
The InChIKey is BAASXIWMQPEGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-8-3-4-11-9(6-8)10(7-15-11)13(16)12-2-1-5-17-12/h3-4,6-7,12,15H,1-2,5H2.
What are the key properties of (5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone?
(5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone has a molecular weight of 249.70 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 63879050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).