5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine

C9H11N3 — CID 143716589

IUPAC5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine
SMILESC=N/C=C\N=C1/CC=C(C)C=N1
InChIInChI=1S/C9H11N3/c1-8-3-4-9(12-7-8)11-6-5-10-2/h3,5-7H,2,4H2,1H3/b6-5-,11-9+
InChIKeyHSEZDYUOIFASRF-QEYVUMQQSA-N
MW161.21 g/mol
LogP1.98
Rot. Bonds2

About 5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine

5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine (PubChem CID 143716589) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine.

Molecular Properties

Compound Name5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine
PubChem CID143716589
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine
SMILESC=N/C=C\N=C1/CC=C(C)C=N1
InChIInChI=1S/C9H11N3/c1-8-3-4-9(12-7-8)11-6-5-10-2/h3,5-7H,2,4H2,1H3/b6-5-,11-9+
InChIKeyHSEZDYUOIFASRF-QEYVUMQQSA-N
XLogP1.98
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.98
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

3aH-pyrrolo[2,3-b]pyridine
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(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
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2-methyl-N'-[(Z)-prop-1-enyl]-N-prop-2-enylideneprop-2-enimidamide
CID 89278504
N,4-dimethyl-3H-pyridin-6-imine
CID 123755468
2-Methyl-5-methylidene-1,3-diazepine
CID 126580929
(6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene
CID 130252124
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CID 130294574
(5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine
CID 134242605

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine?
The IUPAC name of 5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine (CID 143716589) is 5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine.
What is the SMILES notation for 5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine?
The canonical SMILES for 5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine is C=N/C=C\N=C1/CC=C(C)C=N1.
What is the InChIKey of 5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine?
The InChIKey is HSEZDYUOIFASRF-QEYVUMQQSA-N. The full InChI is InChI=1S/C9H11N3/c1-8-3-4-9(12-7-8)11-6-5-10-2/h3,5-7H,2,4H2,1H3/b6-5-,11-9+.
What are the key properties of 5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine?
5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine has a molecular weight of 161.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine is sourced from PubChem (CID 143716589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).