(2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one

C12H12N2O — CID 139318720

IUPAC(2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one
SMILESC=C(C)/C(C)=C1\N=C2C=CC=CN2C1=O
InChIInChI=1S/C12H12N2O/c1-8(2)9(3)11-12(15)14-7-5-4-6-10(14)13-11/h4-7H,1H2,2-3H3/b11-9-
InChIKeyLPQXVTNCRCYCLA-LUAWRHEFSA-N
MW200.24 g/mol
LogP2.16
Rot. Bonds1

About (2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one

(2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one (PubChem CID 139318720) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one.

Molecular Properties

Compound Name(2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one
PubChem CID139318720
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one
SMILESC=C(C)/C(C)=C1\N=C2C=CC=CN2C1=O
InChIInChI=1S/C12H12N2O/c1-8(2)9(3)11-12(15)14-7-5-4-6-10(14)13-11/h4-7H,1H2,2-3H3/b11-9-
InChIKeyLPQXVTNCRCYCLA-LUAWRHEFSA-N
XLogP2.16
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one?
The IUPAC name of (2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one (CID 139318720) is (2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one.
What is the SMILES notation for (2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one?
The canonical SMILES for (2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one is C=C(C)/C(C)=C1\N=C2C=CC=CN2C1=O.
What is the InChIKey of (2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one?
The InChIKey is LPQXVTNCRCYCLA-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8(2)9(3)11-12(15)14-7-5-4-6-10(14)13-11/h4-7H,1H2,2-3H3/b11-9-.
What are the key properties of (2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one?
(2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one has a molecular weight of 200.24 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-methylbut-3-en-2-ylidene)imidazo[1,2-a]pyridin-3-one is sourced from PubChem (CID 139318720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).