N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide

C11H15N3 — CID 142962297

IUPACN-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide
SMILESC=C/C(=N\C(C)=N\C)C1=CCCN=C1
InChIInChI=1S/C11H15N3/c1-4-11(14-9(2)12-3)10-6-5-7-13-8-10/h4,6,8H,1,5,7H2,2-3H3/b12-9+,14-11+
InChIKeySSEGBCKMNFIZOV-JZAGDRGGSA-N
MW189.26 g/mol
LogP2.06
Rot. Bonds2

About N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide

N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide (PubChem CID 142962297) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide
PubChem CID142962297
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide
SMILESC=C/C(=N\C(C)=N\C)C1=CCCN=C1
InChIInChI=1S/C11H15N3/c1-4-11(14-9(2)12-3)10-6-5-7-13-8-10/h4,6,8H,1,5,7H2,2-3H3/b12-9+,14-11+
InChIKeySSEGBCKMNFIZOV-JZAGDRGGSA-N
XLogP2.06
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
5-Ethylpyridine-2,3-diimine
CID 68028389
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
N',3-dimethyl-N-methylidene-2,3-dihydropyridine-5-carboximidamide
CID 68309209
2-N,3-N-dipentylpyridine-2,3-diimine
CID 68572089
2H-1,3-Benzodiazepine
CID 71346896
N-(3-methylbut-3-enyl)-3,4-dihydroazepin-2-imine
CID 123185222
4-but-2-enyl-5-methylidene-4H-pyrimidine
CID 123267022
N-propyl-3,4-dihydroazepin-2-imine
CID 123326575
4-[(2E)-hepta-2,5-dien-2-yl]-2-methyl-2H-imidazole
CID 123513203
N-ethyl-6-methyl-3H-pyridin-3-ylium-2-imine
CID 123678450
N,4-dimethyl-3H-pyridin-6-imine
CID 123755468

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide?
The IUPAC name of N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide (CID 142962297) is N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide.
What is the SMILES notation for N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide?
The canonical SMILES for N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide is C=C/C(=N\C(C)=N\C)C1=CCCN=C1.
What is the InChIKey of N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide?
The InChIKey is SSEGBCKMNFIZOV-JZAGDRGGSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-11(14-9(2)12-3)10-6-5-7-13-8-10/h4,6,8H,1,5,7H2,2-3H3/b12-9+,14-11+.
What are the key properties of N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide?
N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide has a molecular weight of 189.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydropyridin-5-yl)prop-2-enylidene]-N'-methylethanimidamide is sourced from PubChem (CID 142962297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).