4-propan-2-ylidene-1H-1,8-naphthyridine

C11H12N2 — CID 58770052

IUPAC4-propan-2-ylidene-1H-1,8-naphthyridine
SMILESCC(C)=C1C=CNc2ncccc21
InChIInChI=1S/C11H12N2/c1-8(2)9-5-7-13-11-10(9)4-3-6-12-11/h3-7H,1-2H3,(H,12,13)
InChIKeyYCBKROJKVPIJAH-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.81
Rot. Bonds

About 4-propan-2-ylidene-1H-1,8-naphthyridine

4-propan-2-ylidene-1H-1,8-naphthyridine (PubChem CID 58770052) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-propan-2-ylidene-1H-1,8-naphthyridine.

Molecular Properties

Compound Name4-propan-2-ylidene-1H-1,8-naphthyridine
PubChem CID58770052
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-propan-2-ylidene-1H-1,8-naphthyridine
SMILESCC(C)=C1C=CNc2ncccc21
InChIInChI=1S/C11H12N2/c1-8(2)9-5-7-13-11-10(9)4-3-6-12-11/h3-7H,1-2H3,(H,12,13)
InChIKeyYCBKROJKVPIJAH-UHFFFAOYSA-N
XLogP2.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylidene-1H-1,8-naphthyridine?
The IUPAC name of 4-propan-2-ylidene-1H-1,8-naphthyridine (CID 58770052) is 4-propan-2-ylidene-1H-1,8-naphthyridine.
What is the SMILES notation for 4-propan-2-ylidene-1H-1,8-naphthyridine?
The canonical SMILES for 4-propan-2-ylidene-1H-1,8-naphthyridine is CC(C)=C1C=CNc2ncccc21.
What is the InChIKey of 4-propan-2-ylidene-1H-1,8-naphthyridine?
The InChIKey is YCBKROJKVPIJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8(2)9-5-7-13-11-10(9)4-3-6-12-11/h3-7H,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-ylidene-1H-1,8-naphthyridine?
4-propan-2-ylidene-1H-1,8-naphthyridine has a molecular weight of 172.23 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylidene-1H-1,8-naphthyridine is sourced from PubChem (CID 58770052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).