(2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine

C9H12N2 — CID 142088787

IUPAC(2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine
SMILESC/N=C/C(C)=C1\CC=CC=N1
InChIInChI=1S/C9H12N2/c1-8(7-10-2)9-5-3-4-6-11-9/h3-4,6-7H,5H2,1-2H3/b9-8+,10-7+
InChIKeyHLOPNTAXRCTKPE-DGLUDJRXSA-N
MW148.21 g/mol
LogP1.99
Rot. Bonds1

About (2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine

(2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine (PubChem CID 142088787) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine.

Molecular Properties

Compound Name(2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine
PubChem CID142088787
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine
SMILESC/N=C/C(C)=C1\CC=CC=N1
InChIInChI=1S/C9H12N2/c1-8(7-10-2)9-5-3-4-6-11-9/h3-4,6-7H,5H2,1-2H3/b9-8+,10-7+
InChIKeyHLOPNTAXRCTKPE-DGLUDJRXSA-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

5-methyl-3H-pyridin-1-ium
CID 57233424
2-tert-butyl-5-methylidene-4H-pyridine
CID 58468592
(2Z,6Z)-2,3-di(propan-2-yl)-1,5-diazocine
CID 58763006
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
2-methyl-5-methylidene-4H-pyridine
CID 69535426
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073
2-ethylidene-N-methylpyridin-3-imine
CID 77385875
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
(2E,3Z)-2,3-di(ethylidene)pyridine
CID 88552849
2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine
CID 88994507

Frequently Asked Questions

What is the IUPAC name of (2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine?
The IUPAC name of (2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine (CID 142088787) is (2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine.
What is the SMILES notation for (2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine?
The canonical SMILES for (2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine is C/N=C/C(C)=C1\CC=CC=N1.
What is the InChIKey of (2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine?
The InChIKey is HLOPNTAXRCTKPE-DGLUDJRXSA-N. The full InChI is InChI=1S/C9H12N2/c1-8(7-10-2)9-5-3-4-6-11-9/h3-4,6-7H,5H2,1-2H3/b9-8+,10-7+.
What are the key properties of (2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine?
(2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine 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 (2E)-N-methyl-2-(3H-pyridin-2-ylidene)propan-1-imine is sourced from PubChem (CID 142088787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).