2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one

C10H10N2O — CID 151521695

IUPAC2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one
SMILESC=C1C=CC=C(N2N=CCC2=O)C1
InChIInChI=1S/C10H10N2O/c1-8-3-2-4-9(7-8)12-10(13)5-6-11-12/h2-4,6H,1,5,7H2
InChIKeyPUPQRQZUJBFAGP-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.60
Rot. Bonds1

About 2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one

2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one (PubChem CID 151521695) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one
PubChem CID151521695
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one
SMILESC=C1C=CC=C(N2N=CCC2=O)C1
InChIInChI=1S/C10H10N2O/c1-8-3-2-4-9(7-8)12-10(13)5-6-11-12/h2-4,6H,1,5,7H2
InChIKeyPUPQRQZUJBFAGP-UHFFFAOYSA-N
XLogP1.60
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one?
The IUPAC name of 2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one (CID 151521695) is 2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one?
The canonical SMILES for 2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one is C=C1C=CC=C(N2N=CCC2=O)C1.
What is the InChIKey of 2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one?
The InChIKey is PUPQRQZUJBFAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-3-2-4-9(7-8)12-10(13)5-6-11-12/h2-4,6H,1,5,7H2.
What are the key properties of 2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one?
2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one has a molecular weight of 174.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylidenecyclohexa-1,3-dien-1-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 151521695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).