3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone

C15H14ClNO — CID 103474428

IUPAC3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2c(Cl)cccc12)C1CC2CC2C1
InChIInChI=1S/C15H14ClNO/c16-13-3-1-2-11-12(7-17-14(11)13)15(18)10-5-8-4-9(8)6-10/h1-3,7-10,17H,4-6H2
InChIKeyCQIBWRDIRWZQRE-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.05
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone

3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone (PubChem CID 103474428) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone
PubChem CID103474428
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2c(Cl)cccc12)C1CC2CC2C1
InChIInChI=1S/C15H14ClNO/c16-13-3-1-2-11-12(7-17-14(11)13)15(18)10-5-8-4-9(8)6-10/h1-3,7-10,17H,4-6H2
InChIKeyCQIBWRDIRWZQRE-UHFFFAOYSA-N
XLogP4.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone
CID 103474338
3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone
CID 114963326
(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
(7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 103474378
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
(7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone
CID 156772781
1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103474467
1-(7-chloro-1H-indol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103474400
(7-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 82497264
(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475626
(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
CID 103474392
cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone
CID 82277622

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone (CID 103474428) is 3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone is O=C(c1c[nH]c2c(Cl)cccc12)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone?
The InChIKey is CQIBWRDIRWZQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-13-3-1-2-11-12(7-17-14(11)13)15(18)10-5-8-4-9(8)6-10/h1-3,7-10,17H,4-6H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone?
3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone has a molecular weight of 259.74 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 103474428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).