N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine

C9H12N2 — CID 177046969

IUPACN-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine
SMILESC=NC1=NCCC=C1/C=C\C
InChIInChI=1S/C9H12N2/c1-3-5-8-6-4-7-11-9(8)10-2/h3,5-6H,2,4,7H2,1H3/b5-3-
InChIKeyCOKJIBPRVSHQOY-HYXAFXHYSA-N
MW148.21 g/mol
LogP1.99
Rot. Bonds1

About N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine

N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine (PubChem CID 177046969) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine.

Molecular Properties

Compound NameN-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine
PubChem CID177046969
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine
SMILESC=NC1=NCCC=C1/C=C\C
InChIInChI=1S/C9H12N2/c1-3-5-8-6-4-7-11-9(8)10-2/h3,5-6H,2,4,7H2,1H3/b5-3-
InChIKeyCOKJIBPRVSHQOY-HYXAFXHYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethenyl-2,3-dihydropyridin-6-yl)methanimine
CID 142356722
5,6-dimethyl-2,3-dihydropyridine;ethane
CID 142828316
5-methylidene-4-prop-1-enyl-2H-furan
CID 123639745
1-[(Z)-prop-1-enyl]cycloheptene
CID 135080303
N-(4-prop-1-enyl-1H-pyrazol-5-yl)methanimine
CID 123664666
N-[4-bromo-2-[(Z)-prop-1-enyl]phenyl]methanimine
CID 135128411
7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane]
CID 123417110
N-[5-methyl-2-[(Z)-prop-1-enyl]-3-pyridinyl]methanimine
CID 134331107
N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
CID 152858957
ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 144600040
N-[2-methylsulfonyl-5-[(Z)-prop-1-enyl]triazol-4-yl]methanimine
CID 167189742
5-[4-methyl-3-[(Z)-prop-1-enyl]phenyl]-2,3-dihydropyridine
CID 167198294

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine?
The IUPAC name of N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine (CID 177046969) is N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine.
What is the SMILES notation for N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine?
The canonical SMILES for N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine is C=NC1=NCCC=C1/C=C\C.
What is the InChIKey of N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine?
The InChIKey is COKJIBPRVSHQOY-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-5-8-6-4-7-11-9(8)10-2/h3,5-6H,2,4,7H2,1H3/b5-3-.
What are the key properties of N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine?
N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine has a molecular weight of 148.21 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-yl]methanimine is sourced from PubChem (CID 177046969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).