ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine

C11H16N2 — CID 144881545

IUPACethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine
SMILESC=C1C=CN=C/C1=N\C=C/C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-3-5-11-9-7-10-6-4-8(9)2;1-2/h3-7H,2H2,1H3;1-2H3/b5-3-,11-9+;
InChIKeyYFEXCBJQLWAKAB-UADDLOEVSA-N
MW176.26 g/mol
LogP3.14
Rot. Bonds1

About ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine

ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine (PubChem CID 144881545) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine.

Molecular Properties

Compound Nameethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine
PubChem CID144881545
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine
SMILESC=C1C=CN=C/C1=N\C=C/C.CC
InChIInChI=1S/C9H10N2.C2H6/c1-3-5-11-9-7-10-6-4-8(9)2;1-2/h3-7H,2H2,1H3;1-2H3/b5-3-,11-9+;
InChIKeyYFEXCBJQLWAKAB-UADDLOEVSA-N
XLogP3.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.14
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

1,5-Benzodiazocine
CID 23633143
N-propan-2-yl-4H-pyridin-3-imine
CID 19384805
N-methyl-3H-pyridin-4-imine
CID 20520378
N-propyl-3H-pyridin-4-imine
CID 20520388
3,8-Diazabicyclo[4.2.0]octa-1,3,5,7-tetraene
CID 56972315
propane;2H-pyrido[3,4-d]pyrimidin-2-ide;yttrium
CID 58547126
7H-pyrrolo[3,2-c]pyridine
CID 67216888
N-methyl-4H-pyridin-3-imine
CID 67496115
N-butyl-4H-pyridin-3-imine
CID 67808449
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine
CID 89088417

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine?
The IUPAC name of ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine (CID 144881545) is ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine.
What is the SMILES notation for ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine?
The canonical SMILES for ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine is C=C1C=CN=C/C1=N\C=C/C.CC.
What is the InChIKey of ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine?
The InChIKey is YFEXCBJQLWAKAB-UADDLOEVSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-3-5-11-9-7-10-6-4-8(9)2;1-2/h3-7H,2H2,1H3;1-2H3/b5-3-,11-9+;.
What are the key properties of ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine?
ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine has a molecular weight of 176.26 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylidene-N-[(Z)-prop-1-enyl]pyridin-3-imine is sourced from PubChem (CID 144881545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).