1-cyclopropyl-3,6-dihydro-2H-pyridine

C8H13N — CID 45087168

IUPAC1-cyclopropyl-3,6-dihydro-2H-pyridine
SMILESC1=CCN(C2CC2)CC1
InChIInChI=1S/C8H13N/c1-2-6-9(7-3-1)8-4-5-8/h1-2,8H,3-7H2
InChIKeyKQYMFAQTZNPPGW-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.41
Rot. Bonds1

About 1-cyclopropyl-3,6-dihydro-2H-pyridine

1-cyclopropyl-3,6-dihydro-2H-pyridine (PubChem CID 45087168) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-cyclopropyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-cyclopropyl-3,6-dihydro-2H-pyridine
PubChem CID45087168
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-cyclopropyl-3,6-dihydro-2H-pyridine
SMILESC1=CCN(C2CC2)CC1
InChIInChI=1S/C8H13N/c1-2-6-9(7-3-1)8-4-5-8/h1-2,8H,3-7H2
InChIKeyKQYMFAQTZNPPGW-UHFFFAOYSA-N
XLogP1.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine
CID 170255458
1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine
CID 174829694
1-(3,3-dimethylcyclopentyl)-3,6-dihydro-2H-pyridine
CID 130638381
1-(1-benzylpiperidin-4-yl)-3,6-dihydro-2H-pyridine
CID 141068569
1-cycloheptyl-2,5-dihydropyrrole
CID 139880348
2,3,4,6,9,9a-hexahydro-1H-quinolizine
CID 557967
1-(4-cyclopentylcyclohexyl)-2,3,4,7,8,9-hexahydroazonine
CID 174119068
3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 130666198
(6R)-1-azabicyclo[4.1.0]hept-3-ene
CID 135029042
4-[9-(3,6-dihydro-2H-pyridin-1-yl)-3-azaspiro[5.5]undecane-3-carbonyl]benzonitrile
CID 56723400
1-[(1S,4E)-cyclooct-4-en-1-yl]pyrrolidine
CID 144561428
1-azabicyclo[3.2.0]hept-3-ene
CID 148854275

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-cyclopropyl-3,6-dihydro-2H-pyridine (CID 45087168) is 1-cyclopropyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-cyclopropyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-cyclopropyl-3,6-dihydro-2H-pyridine is C1=CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-3,6-dihydro-2H-pyridine?
The InChIKey is KQYMFAQTZNPPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-6-9(7-3-1)8-4-5-8/h1-2,8H,3-7H2.
What are the key properties of 1-cyclopropyl-3,6-dihydro-2H-pyridine?
1-cyclopropyl-3,6-dihydro-2H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 45087168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).