1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine

C11H18N2 — CID 114410690

IUPAC1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine
SMILESCC(CN1CC=CCC1)=C1CNC1
InChIInChI=1S/C11H18N2/c1-10(11-7-12-8-11)9-13-5-3-2-4-6-13/h2-3,12H,4-9H2,1H3
InChIKeyONBDQMQHDITUKT-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.17
Rot. Bonds2

About 1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine

1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine (PubChem CID 114410690) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine
PubChem CID114410690
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine
SMILESCC(CN1CC=CCC1)=C1CNC1
InChIInChI=1S/C11H18N2/c1-10(11-7-12-8-11)9-13-5-3-2-4-6-13/h2-3,12H,4-9H2,1H3
InChIKeyONBDQMQHDITUKT-UHFFFAOYSA-N
XLogP1.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(azetidin-3-ylidene)propyl]-4-tert-butyl-3,6-dihydro-2H-pyridine
CID 114460431
1-(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine
CID 54055281
4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine
CID 116680044
2-(azetidin-3-ylidene)-1-(3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 114409127
2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid
CID 57240918
1-[2-(azetidin-3-ylidene)propyl]-4-tert-butylazepane
CID 116680132
2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide
CID 130637291
1-[(3-ethylpyrrolidin-3-yl)methyl]-3,6-dihydro-2H-pyridine
CID 114410666
1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine
CID 114410544
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
CID 114410601
1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114410564
3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
CID 114412953

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine (CID 114410690) is 1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine is CC(CN1CC=CCC1)=C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine?
The InChIKey is ONBDQMQHDITUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10(11-7-12-8-11)9-13-5-3-2-4-6-13/h2-3,12H,4-9H2,1H3.
What are the key properties of 1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine?
1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine has a molecular weight of 178.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-ylidene)propyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114410690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).