(3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one

C14H12ClNO — CID 68796311

IUPAC(3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C/C1=CCCC1
InChIInChI=1S/C14H12ClNO/c15-10-5-6-11-12(7-9-3-1-2-4-9)14(17)16-13(11)8-10/h3,5-8H,1-2,4H2,(H,16,17)/b12-7-
InChIKeyNKXRNQJXYKIYNA-GHXNOFRVSA-N
MW245.71 g/mol
LogP3.79
Rot. Bonds1

About (3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one

(3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one (PubChem CID 68796311) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is (3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one
PubChem CID68796311
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name(3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2/C1=C/C1=CCCC1
InChIInChI=1S/C14H12ClNO/c15-10-5-6-11-12(7-9-3-1-2-4-9)14(17)16-13(11)8-10/h3,5-8H,1-2,4H2,(H,16,17)/b12-7-
InChIKeyNKXRNQJXYKIYNA-GHXNOFRVSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
CID 90683183
(3E)-6-chloro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 963022
6-chloro-3-[(5-chloro-2-iodophenyl)methylidene]-1H-indol-2-one
CID 71028321
(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one
CID 86620116
(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 72710618
6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one
CID 70190219
(3E)-6-chloro-3-propylidene-1H-indol-2-one
CID 59774782
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 3925589
(3Z)-3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 962912
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6-chloro-1H-indol-2-one
CID 2487183

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one (CID 68796311) is (3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2/C1=C/C1=CCCC1.
What is the InChIKey of (3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one?
The InChIKey is NKXRNQJXYKIYNA-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-10-5-6-11-12(7-9-3-1-2-4-9)14(17)16-13(11)8-10/h3,5-8H,1-2,4H2,(H,16,17)/b12-7-.
What are the key properties of (3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one?
(3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one has a molecular weight of 245.71 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-(cyclopenten-1-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 68796311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).