(4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine

C12H16N2 — CID 123953591

IUPAC(4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine
SMILES[H]/N=C1/C=C/C(=C2\CCCC=N2)CCC1
InChIInChI=1S/C12H16N2/c13-11-5-3-4-10(7-8-11)12-6-1-2-9-14-12/h7-9,13H,1-6H2/b12-10+,13-11+
InChIKeyCAAHTWSLYMNJMY-DCIPZJNNSA-N
MW188.27 g/mol
LogP3.26
Rot. Bonds

About (4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine

(4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine (PubChem CID 123953591) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine.

Molecular Properties

Compound Name(4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine
PubChem CID123953591
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine
SMILES[H]/N=C1/C=C/C(=C2\CCCC=N2)CCC1
InChIInChI=1S/C12H16N2/c13-11-5-3-4-10(7-8-11)12-6-1-2-9-14-12/h7-9,13H,1-6H2/b12-10+,13-11+
InChIKeyCAAHTWSLYMNJMY-DCIPZJNNSA-N
XLogP3.26
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 57269353
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CID 91238174
(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine
CID 91436110
3-(4-Butyl-6-ethylidene-2-methylpyrimidin-5-ylidene)prop-2-en-1-imine
CID 123783644
3,3-Dimethyl-6,7,8,9-tetrahydro-1-benzazepine
CID 123861063
[7-[(1E)-buta-1,3-dienyl]-4-methyl-3,6-dihydro-2H-azepin-5-yl]methanimine
CID 126612267
3-butyl-4-methyl-2H-1,5-benzodiazepin-8-amine
CID 134312135
9H-1,4-benzodiazepin-8-ylmethanamine
CID 141558848
1-[2-(Ethylideneamino)cyclohexen-1-yl]pentan-1-imine
CID 141889859
(3E)-8-ethyl-4-(ethylideneamino)-2-iminodeca-3,8,9-trien-3-amine
CID 146367002
3-Methyl-6,7,8,9-tetrahydro-1-benzazepin-3-amine
CID 156794150

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine?
The IUPAC name of (4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine (CID 123953591) is (4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine.
What is the SMILES notation for (4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine?
The canonical SMILES for (4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine is [H]/N=C1/C=C/C(=C2\CCCC=N2)CCC1.
What is the InChIKey of (4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine?
The InChIKey is CAAHTWSLYMNJMY-DCIPZJNNSA-N. The full InChI is InChI=1S/C12H16N2/c13-11-5-3-4-10(7-8-11)12-6-1-2-9-14-12/h7-9,13H,1-6H2/b12-10+,13-11+.
What are the key properties of (4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine?
(4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine has a molecular weight of 188.27 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(4,5-dihydro-3H-pyridin-2-ylidene)cyclohept-2-en-1-imine is sourced from PubChem (CID 123953591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).