3-prop-1-enylindol-2-one;hydrochloride

C11H10ClNO — CID 141362920

IUPAC3-prop-1-enylindol-2-one;hydrochloride
SMILESCC=CC1=c2ccccc2=NC1=O.Cl
InChIInChI=1S/C11H9NO.ClH/c1-2-5-9-8-6-3-4-7-10(8)12-11(9)13;/h2-7H,1H3;1H
InChIKeyYSHSUFHENRLPKT-UHFFFAOYSA-N
MW207.66 g/mol
LogP1.00
Rot. Bonds1

About 3-prop-1-enylindol-2-one;hydrochloride

3-prop-1-enylindol-2-one;hydrochloride (PubChem CID 141362920) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-prop-1-enylindol-2-one;hydrochloride.

Molecular Properties

Compound Name3-prop-1-enylindol-2-one;hydrochloride
PubChem CID141362920
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name3-prop-1-enylindol-2-one;hydrochloride
SMILESCC=CC1=c2ccccc2=NC1=O.Cl
InChIInChI=1S/C11H9NO.ClH/c1-2-5-9-8-6-3-4-7-10(8)12-11(9)13;/h2-7H,1H3;1H
InChIKeyYSHSUFHENRLPKT-UHFFFAOYSA-N
XLogP1.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enylindol-2-one;hydrochloride?
The IUPAC name of 3-prop-1-enylindol-2-one;hydrochloride (CID 141362920) is 3-prop-1-enylindol-2-one;hydrochloride.
What is the SMILES notation for 3-prop-1-enylindol-2-one;hydrochloride?
The canonical SMILES for 3-prop-1-enylindol-2-one;hydrochloride is CC=CC1=c2ccccc2=NC1=O.Cl.
What is the InChIKey of 3-prop-1-enylindol-2-one;hydrochloride?
The InChIKey is YSHSUFHENRLPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.ClH/c1-2-5-9-8-6-3-4-7-10(8)12-11(9)13;/h2-7H,1H3;1H.
What are the key properties of 3-prop-1-enylindol-2-one;hydrochloride?
3-prop-1-enylindol-2-one;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enylindol-2-one;hydrochloride is sourced from PubChem (CID 141362920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).