3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine

C12H15N — CID 88999139

IUPAC3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine
SMILESCC1C=C(C2C=CC=NC2)C=CC1
InChIInChI=1S/C12H15N/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12/h2-3,5-8,10,12H,4,9H2,1H3
InChIKeyJWCXNMQLJSWJTM-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.77
Rot. Bonds1

About 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine

3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine (PubChem CID 88999139) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine
PubChem CID88999139
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine
SMILESCC1C=C(C2C=CC=NC2)C=CC1
InChIInChI=1S/C12H15N/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12/h2-3,5-8,10,12H,4,9H2,1H3
InChIKeyJWCXNMQLJSWJTM-UHFFFAOYSA-N
XLogP2.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Dihydroisoquinoline
CID 91129745
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
(2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine
CID 166786093
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
1H-indeno[1,2-c]pyridine
CID 17967584
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
CID 18187422
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
3,5-Diethyl-2,3-dihydropyridine
CID 54235037
3-Ethyl-2,3-dihydropyridine
CID 54500796
3,4-Dimethyl-2,3-dihydropyridine
CID 57300040
3-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708296
carbanide;5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856119

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine?
The IUPAC name of 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine (CID 88999139) is 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine.
What is the SMILES notation for 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine?
The canonical SMILES for 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine is CC1C=C(C2C=CC=NC2)C=CC1.
What is the InChIKey of 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine?
The InChIKey is JWCXNMQLJSWJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-10-4-2-5-11(8-10)12-6-3-7-13-9-12/h2-3,5-8,10,12H,4,9H2,1H3.
What are the key properties of 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine?
3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine has a molecular weight of 173.26 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine is sourced from PubChem (CID 88999139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).