5-(1-methylcyclopropyl)-2,3-dihydropyridine

C9H13N — CID 145397159

IUPAC5-(1-methylcyclopropyl)-2,3-dihydropyridine
SMILESCC1(C2=CCCN=C2)CC1
InChIInChI=1S/C9H13N/c1-9(4-5-9)8-3-2-6-10-7-8/h3,7H,2,4-6H2,1H3
InChIKeyQBFHMCMHHLJXAP-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.19
Rot. Bonds1

About 5-(1-methylcyclopropyl)-2,3-dihydropyridine

5-(1-methylcyclopropyl)-2,3-dihydropyridine (PubChem CID 145397159) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-2,3-dihydropyridine
PubChem CID145397159
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-(1-methylcyclopropyl)-2,3-dihydropyridine
SMILESCC1(C2=CCCN=C2)CC1
InChIInChI=1S/C9H13N/c1-9(4-5-9)8-3-2-6-10-7-8/h3,7H,2,4-6H2,1H3
InChIKeyQBFHMCMHHLJXAP-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Propyl-2,3-dihydropyridine
CID 67965940
5-Cyclopropyl-2-methyl-2,3-dihydropyridine
CID 88986990
4-(2,2-dimethylpropyl)-2H-pyrrole
CID 89113097
3,4-dimethyl-6-(1-methylcyclopropyl)-4H-azepine
CID 90871591
5-Tert-butyl-2,3-dihydropyridine
CID 91382897
(E)-N-methyl-3-(1-methylcyclopropyl)pent-2-en-1-imine
CID 123862303
(5E)-5-ethylidene-4,4-dimethyl-2,3-dihydropyridine
CID 123991276
2,5-ditert-butyl-2-methyl-3H-pyridine
CID 132160209
(2Z)-2-ethylidene-N,3,3-trimethylpentan-1-imine
CID 135175562
5-tert-butyl-3,3-dimethyl-2H-pyridine
CID 153401921
(Z)-2-(1-ethylcyclopropyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 156800817
5-(3,5,5-Trimethylhexan-3-yl)-2,3-dihydropyridine
CID 166917808

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-2,3-dihydropyridine?
The IUPAC name of 5-(1-methylcyclopropyl)-2,3-dihydropyridine (CID 145397159) is 5-(1-methylcyclopropyl)-2,3-dihydropyridine.
What is the SMILES notation for 5-(1-methylcyclopropyl)-2,3-dihydropyridine?
The canonical SMILES for 5-(1-methylcyclopropyl)-2,3-dihydropyridine is CC1(C2=CCCN=C2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-2,3-dihydropyridine?
The InChIKey is QBFHMCMHHLJXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-9(4-5-9)8-3-2-6-10-7-8/h3,7H,2,4-6H2,1H3.
What are the key properties of 5-(1-methylcyclopropyl)-2,3-dihydropyridine?
5-(1-methylcyclopropyl)-2,3-dihydropyridine has a molecular weight of 135.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-2,3-dihydropyridine is sourced from PubChem (CID 145397159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).