(3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one

C19H18BrNO — CID 101447427

IUPAC(3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one
SMILESCCCC/C(=C1/C(=O)Nc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C19H18BrNO/c1-2-3-9-15(13-7-6-8-14(20)12-13)18-16-10-4-5-11-17(16)21-19(18)22/h4-8,10-12H,2-3,9H2,1H3,(H,21,22)/b18-15-
InChIKeyPZDYWPWQEKVXAC-SDXDJHTJSA-N
MW356.26 g/mol
LogP5.50
Rot. Bonds4

About (3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one

(3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one (PubChem CID 101447427) has the molecular formula C19H18BrNO and a molecular weight of 356.26 g/mol. Its IUPAC name is (3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one
PubChem CID101447427
Molecular FormulaC19H18BrNO
Molecular Weight356.26 g/mol
Exact Mass355.06
IUPAC Name(3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one
SMILESCCCC/C(=C1/C(=O)Nc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C19H18BrNO/c1-2-3-9-15(13-7-6-8-14(20)12-13)18-16-10-4-5-11-17(16)21-19(18)22/h4-8,10-12H,2-3,9H2,1H3,(H,21,22)/b18-15-
InChIKeyPZDYWPWQEKVXAC-SDXDJHTJSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.26
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(1-hexylsulfonylpentylidene)-1H-indol-2-one
CID 102578633
(3Z)-3-[(E)-1-phenylhept-1-en-3-ylidene]-1H-indol-2-one
CID 101447430
(3Z)-3-(1-phenylethylidene)-1H-indol-2-one
CID 12761441
1-(3-bromophenyl)dodecan-1-one
CID 146009457
(3E)-3-(1-chloropropylidene)-1H-indol-2-one
CID 15208855
1-(3-bromophenyl)butan-1-one
CID 18417701
(3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one
CID 22154428
isoindole-1,3-dione;pentanamide
CID 174742394
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2059550
3-bromo-N-dodecylbenzamide
CID 603918
9-[bis(3-bromophenyl)methylidene]fluorene
CID 11518766
pentadecan-5-yl 3-bromobenzoate
CID 603295

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one (CID 101447427) is (3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one is CCCC/C(=C1/C(=O)Nc2ccccc21)c1cccc(Br)c1.
What is the InChIKey of (3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one?
The InChIKey is PZDYWPWQEKVXAC-SDXDJHTJSA-N. The full InChI is InChI=1S/C19H18BrNO/c1-2-3-9-15(13-7-6-8-14(20)12-13)18-16-10-4-5-11-17(16)21-19(18)22/h4-8,10-12H,2-3,9H2,1H3,(H,21,22)/b18-15-.
What are the key properties of (3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one?
(3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one has a molecular weight of 356.26 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[1-(3-bromophenyl)pentylidene]-1H-indol-2-one is sourced from PubChem (CID 101447427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).