(4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine

C9H10N2 — CID 129145090

IUPAC(4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine
SMILESC=C1C=C2N=CC=C[C@@H]2CN1
InChIInChI=1S/C9H10N2/c1-7-5-9-8(6-11-7)3-2-4-10-9/h2-5,8,11H,1,6H2/t8-/m1/s1
InChIKeyRAKVLWRBCYWEIE-MRVPVSSYSA-N
MW146.19 g/mol
LogP1.24
Rot. Bonds

About (4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine

(4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine (PubChem CID 129145090) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine.

Molecular Properties

Compound Name(4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine
PubChem CID129145090
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine
SMILESC=C1C=C2N=CC=C[C@@H]2CN1
InChIInChI=1S/C9H10N2/c1-7-5-9-8(6-11-7)3-2-4-10-9/h2-5,8,11H,1,6H2/t8-/m1/s1
InChIKeyRAKVLWRBCYWEIE-MRVPVSSYSA-N
XLogP1.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine?
The IUPAC name of (4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine (CID 129145090) is (4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine.
What is the SMILES notation for (4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine?
The canonical SMILES for (4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine is C=C1C=C2N=CC=C[C@@H]2CN1.
What is the InChIKey of (4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine?
The InChIKey is RAKVLWRBCYWEIE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-5-9-8(6-11-7)3-2-4-10-9/h2-5,8,11H,1,6H2/t8-/m1/s1.
What are the key properties of (4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine?
(4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine has a molecular weight of 146.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-7-methylidene-5,6-dihydro-4aH-1,6-naphthyridine is sourced from PubChem (CID 129145090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).