4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine

C12H14N2 — CID 58947005

IUPAC4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine
SMILESC=C1NC=NC2=C1C1=C(CCCC1)C2
InChIInChI=1S/C12H14N2/c1-8-12-10-5-3-2-4-9(10)6-11(12)14-7-13-8/h7H,1-6H2,(H,13,14)
InChIKeyHGAIBYKTBLORDD-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.66
Rot. Bonds

About 4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine

4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine (PubChem CID 58947005) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine.

Molecular Properties

Compound Name4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine
PubChem CID58947005
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine
SMILESC=C1NC=NC2=C1C1=C(CCCC1)C2
InChIInChI=1S/C12H14N2/c1-8-12-10-5-3-2-4-9(10)6-11(12)14-7-13-8/h7H,1-6H2,(H,13,14)
InChIKeyHGAIBYKTBLORDD-UHFFFAOYSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine?
The IUPAC name of 4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine (CID 58947005) is 4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine.
What is the SMILES notation for 4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine?
The canonical SMILES for 4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine is C=C1NC=NC2=C1C1=C(CCCC1)C2.
What is the InChIKey of 4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine?
The InChIKey is HGAIBYKTBLORDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-12-10-5-3-2-4-9(10)6-11(12)14-7-13-8/h7H,1-6H2,(H,13,14).
What are the key properties of 4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine?
4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine has a molecular weight of 186.26 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3,5,6,7,8,9-hexahydroindeno[2,1-d]pyrimidine is sourced from PubChem (CID 58947005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).