3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine

C12H15N — CID 89017650

IUPAC3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
SMILESC[C@H]1C=CC=CC1C1C=CC=NC1
InChIInChI=1S/C12H15N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-8,10-12H,9H2,1H3/t10-,11?,12?/m0/s1
InChIKeyNEPUTPSFCJPPBX-UNXYVOJBSA-N
MW173.26 g/mol
LogP2.62
Rot. Bonds1

About 3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine

3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine (PubChem CID 89017650) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
PubChem CID89017650
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
SMILESC[C@H]1C=CC=CC1C1C=CC=NC1
InChIInChI=1S/C12H15N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-8,10-12H,9H2,1H3/t10-,11?,12?/m0/s1
InChIKeyNEPUTPSFCJPPBX-UNXYVOJBSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,4a,5,8,8a-Hexahydroisoquinoline
CID 123941003
4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
10a,10b-Dihydrobenzo[f]quinoline
CID 91482637
2,2',3,3',4',5'-Hexa-hydro-3,4'-bipyridine
CID 129759174
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
4,5,5a,9a-tetrahydro-3H-2-benzazepine
CID 53961654
2,5,5a,9a-tetrahydro-1H-3-benzazepine
CID 54189236
4,5,5a,9a-tetrahydro-1H-2-benzazepine
CID 54443574
3,4,4a,5,6,8a-Hexahydroisoquinoline
CID 57198919
3-(3-Methylcyclohexa-1,5-dien-1-yl)-2,3-dihydropyridine
CID 88999139
3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine
CID 89017608
3-methyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 89063696

Frequently Asked Questions

What is the IUPAC name of 3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine?
The IUPAC name of 3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine (CID 89017650) is 3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine.
What is the SMILES notation for 3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine?
The canonical SMILES for 3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine is C[C@H]1C=CC=CC1C1C=CC=NC1.
What is the InChIKey of 3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine?
The InChIKey is NEPUTPSFCJPPBX-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H15N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-8,10-12H,9H2,1H3/t10-,11?,12?/m0/s1.
What are the key properties of 3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine?
3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine has a molecular weight of 173.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6S)-6-methylcyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine is sourced from PubChem (CID 89017650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).