2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine

C9H8N2 — CID 172856685

IUPAC2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine
SMILESC1=CNC(=C2C=CC=C2)N=C1
InChIInChI=1S/C9H8N2/c1-2-5-8(4-1)9-10-6-3-7-11-9/h1-7,10H
InChIKeyUTHUFWUULMXGQU-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.51
Rot. Bonds

About 2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine

2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine (PubChem CID 172856685) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine
PubChem CID172856685
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine
SMILESC1=CNC(=C2C=CC=C2)N=C1
InChIInChI=1S/C9H8N2/c1-2-5-8(4-1)9-10-6-3-7-11-9/h1-7,10H
InChIKeyUTHUFWUULMXGQU-UHFFFAOYSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine?
The IUPAC name of 2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine (CID 172856685) is 2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine is C1=CNC(=C2C=CC=C2)N=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine?
The InChIKey is UTHUFWUULMXGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-5-8(4-1)9-10-6-3-7-11-9/h1-7,10H.
What are the key properties of 2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine?
2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine has a molecular weight of 144.18 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-ylidene-1H-pyrimidine is sourced from PubChem (CID 172856685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).