(3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one

C19H20N2O2 — CID 6305986

IUPAC(3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one
SMILESCN1CCC(N2C(=O)/C(=C\c3ccco3)c3ccccc32)CC1
InChIInChI=1S/C19H20N2O2/c1-20-10-8-14(9-11-20)21-18-7-3-2-6-16(18)17(19(21)22)13-15-5-4-12-23-15/h2-7,12-14H,8-11H2,1H3/b17-13-
InChIKeyYPEGVKXMOHCBOX-LGMDPLHJSA-N
MW308.38 g/mol
LogP3.26
Rot. Bonds2

About (3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one

(3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one (PubChem CID 6305986) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one
PubChem CID6305986
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one
SMILESCN1CCC(N2C(=O)/C(=C\c3ccco3)c3ccccc32)CC1
InChIInChI=1S/C19H20N2O2/c1-20-10-8-14(9-11-20)21-18-7-3-2-6-16(18)17(19(21)22)13-15-5-4-12-23-15/h2-7,12-14H,8-11H2,1H3/b17-13-
InChIKeyYPEGVKXMOHCBOX-LGMDPLHJSA-N
XLogP3.26
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one?
The IUPAC name of (3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one (CID 6305986) is (3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one.
What is the SMILES notation for (3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one?
The canonical SMILES for (3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one is CN1CCC(N2C(=O)/C(=C\c3ccco3)c3ccccc32)CC1.
What is the InChIKey of (3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one?
The InChIKey is YPEGVKXMOHCBOX-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-20-10-8-14(9-11-20)21-18-7-3-2-6-16(18)17(19(21)22)13-15-5-4-12-23-15/h2-7,12-14H,8-11H2,1H3/b17-13-.
What are the key properties of (3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one?
(3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(furan-2-ylmethylidene)-1-(1-methylpiperidin-4-yl)indol-2-one is sourced from PubChem (CID 6305986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).