2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine

C8H13N — CID 18711307

IUPAC2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine
SMILESC=C1CC(C)NC=C1C
InChIInChI=1S/C8H13N/c1-6-4-8(3)9-5-7(6)2/h5,8-9H,1,4H2,2-3H3
InChIKeyBQLKKWBSFWPXGW-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.83
Rot. Bonds

About 2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine

2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine (PubChem CID 18711307) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine.

Molecular Properties

Compound Name2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine
PubChem CID18711307
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine
SMILESC=C1CC(C)NC=C1C
InChIInChI=1S/C8H13N/c1-6-4-8(3)9-5-7(6)2/h5,8-9H,1,4H2,2-3H3
InChIKeyBQLKKWBSFWPXGW-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine?
The IUPAC name of 2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine (CID 18711307) is 2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine.
What is the SMILES notation for 2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine?
The canonical SMILES for 2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine is C=C1CC(C)NC=C1C.
What is the InChIKey of 2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine?
The InChIKey is BQLKKWBSFWPXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-8(3)9-5-7(6)2/h5,8-9H,1,4H2,2-3H3.
What are the key properties of 2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine?
2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-methylidene-2,3-dihydro-1H-pyridine is sourced from PubChem (CID 18711307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).