6-chloro-1-prop-2-ynyl-3H-indol-2-one

C11H8ClNO — CID 61344508

IUPAC6-chloro-1-prop-2-ynyl-3H-indol-2-one
SMILESC#CCN1C(=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C11H8ClNO/c1-2-5-13-10-7-9(12)4-3-8(10)6-11(13)14/h1,3-4,7H,5-6H2
InChIKeySJAMQZWHJVPBTB-UHFFFAOYSA-N
MW205.64 g/mol
LogP1.86
Rot. Bonds1

About 6-chloro-1-prop-2-ynyl-3H-indol-2-one

6-chloro-1-prop-2-ynyl-3H-indol-2-one (PubChem CID 61344508) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 6-chloro-1-prop-2-ynyl-3H-indol-2-one.

Molecular Properties

Compound Name6-chloro-1-prop-2-ynyl-3H-indol-2-one
PubChem CID61344508
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name6-chloro-1-prop-2-ynyl-3H-indol-2-one
SMILESC#CCN1C(=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C11H8ClNO/c1-2-5-13-10-7-9(12)4-3-8(10)6-11(13)14/h1,3-4,7H,5-6H2
InChIKeySJAMQZWHJVPBTB-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-prop-2-ynyl-3H-indol-2-one?
The IUPAC name of 6-chloro-1-prop-2-ynyl-3H-indol-2-one (CID 61344508) is 6-chloro-1-prop-2-ynyl-3H-indol-2-one.
What is the SMILES notation for 6-chloro-1-prop-2-ynyl-3H-indol-2-one?
The canonical SMILES for 6-chloro-1-prop-2-ynyl-3H-indol-2-one is C#CCN1C(=O)Cc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-prop-2-ynyl-3H-indol-2-one?
The InChIKey is SJAMQZWHJVPBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c1-2-5-13-10-7-9(12)4-3-8(10)6-11(13)14/h1,3-4,7H,5-6H2.
What are the key properties of 6-chloro-1-prop-2-ynyl-3H-indol-2-one?
6-chloro-1-prop-2-ynyl-3H-indol-2-one has a molecular weight of 205.64 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-prop-2-ynyl-3H-indol-2-one is sourced from PubChem (CID 61344508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).