(7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone

C14H14ClNO2 — CID 103474378

IUPAC(7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone
SMILESO=C(c1c[nH]c2c(Cl)cccc12)C1CCCCO1
InChIInChI=1S/C14H14ClNO2/c15-11-5-3-4-9-10(8-16-13(9)11)14(17)12-6-1-2-7-18-12/h3-5,8,12,16H,1-2,6-7H2
InChIKeyLSSHBUAIMYIKRK-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.57
Rot. Bonds2

About (7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone

(7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone (PubChem CID 103474378) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is (7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone
PubChem CID103474378
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name(7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone
SMILESO=C(c1c[nH]c2c(Cl)cccc12)C1CCCCO1
InChIInChI=1S/C14H14ClNO2/c15-11-5-3-4-9-10(8-16-13(9)11)14(17)12-6-1-2-7-18-12/h3-5,8,12,16H,1-2,6-7H2
InChIKeyLSSHBUAIMYIKRK-UHFFFAOYSA-N
XLogP3.57
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone?
The IUPAC name of (7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone (CID 103474378) is (7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone.
What is the SMILES notation for (7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone?
The canonical SMILES for (7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone is O=C(c1c[nH]c2c(Cl)cccc12)C1CCCCO1.
What is the InChIKey of (7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone?
The InChIKey is LSSHBUAIMYIKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-11-5-3-4-9-10(8-16-13(9)11)14(17)12-6-1-2-7-18-12/h3-5,8,12,16H,1-2,6-7H2.
What are the key properties of (7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone?
(7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone has a molecular weight of 263.72 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone is sourced from PubChem (CID 103474378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).