2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone

C16H16ClNO — CID 103474338

IUPAC2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2c(Cl)cccc12)C1CC2CCC1C2
InChIInChI=1S/C16H16ClNO/c17-14-3-1-2-11-13(8-18-15(11)14)16(19)12-7-9-4-5-10(12)6-9/h1-3,8-10,12,18H,4-7H2
InChIKeyDRQVXAQJSRROTP-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.44
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone

2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone (PubChem CID 103474338) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone
PubChem CID103474338
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2c(Cl)cccc12)C1CC2CCC1C2
InChIInChI=1S/C16H16ClNO/c17-14-3-1-2-11-13(8-18-15(11)14)16(19)12-7-9-4-5-10(12)6-9/h1-3,8-10,12,18H,4-7H2
InChIKeyDRQVXAQJSRROTP-UHFFFAOYSA-N
XLogP4.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone
CID 103474428
(7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 103474378
2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884827
2-bicyclo[2.2.1]heptanyl-(2-fluorophenyl)methanone
CID 12768266
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone
CID 99719002
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
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
1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103474467
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
(7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone
CID 156772781
cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone
CID 82277622

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone (CID 103474338) is 2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone is O=C(c1c[nH]c2c(Cl)cccc12)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone?
The InChIKey is DRQVXAQJSRROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-14-3-1-2-11-13(8-18-15(11)14)16(19)12-7-9-4-5-10(12)6-9/h1-3,8-10,12,18H,4-7H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone?
2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone has a molecular weight of 273.76 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(7-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 103474338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).