N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine

C15H18N2 — CID 134356823

IUPACN-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine
SMILESC=N/C(=C/C)C1=CCC(C2=CC=CC2)N=C1C
InChIInChI=1S/C15H18N2/c1-4-14(16-3)13-9-10-15(17-11(13)2)12-7-5-6-8-12/h4-7,9,15H,3,8,10H2,1-2H3/b14-4+
InChIKeyCBSLGTOLDBFKTC-LNKIKWGQSA-N
MW226.32 g/mol
LogP3.64
Rot. Bonds3

About N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine

N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine (PubChem CID 134356823) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine
PubChem CID134356823
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine
SMILESC=N/C(=C/C)C1=CCC(C2=CC=CC2)N=C1C
InChIInChI=1S/C15H18N2/c1-4-14(16-3)13-9-10-15(17-11(13)2)12-7-5-6-8-12/h4-7,9,15H,3,8,10H2,1-2H3/b14-4+
InChIKeyCBSLGTOLDBFKTC-LNKIKWGQSA-N
XLogP3.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.64
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-Methyl-9H-pyrido[4,3-b]indole
CID 15897930
Methylazepino indole
CID 129789857
(5Z)-2,12,13-trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
CID 23049989
(5Z)-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
CID 23049991
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
8,15-Diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
CID 56982993
2-Methyl-2,3-dihydropyrrolo[2,3-f]indole
CID 57244412
(2S)-2-methyl-2,3-dihydropyrrolo[2,3-f]indole
CID 57252938
2,3-dimethyl-2H-indol-7-amine
CID 57886642
2,12,13-Trimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-1,3,5,8,10,12,14-heptaene
CID 74015785
2-Hexylideneindole
CID 87404983
3,4-Diethyl-2-methylideneindole
CID 87814049

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine?
The IUPAC name of N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine (CID 134356823) is N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine?
The canonical SMILES for N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine is C=N/C(=C/C)C1=CCC(C2=CC=CC2)N=C1C.
What is the InChIKey of N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine?
The InChIKey is CBSLGTOLDBFKTC-LNKIKWGQSA-N. The full InChI is InChI=1S/C15H18N2/c1-4-14(16-3)13-9-10-15(17-11(13)2)12-7-5-6-8-12/h4-7,9,15H,3,8,10H2,1-2H3/b14-4+.
What are the key properties of N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine?
N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine has a molecular weight of 226.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-cyclopenta-1,3-dien-1-yl-6-methyl-2,3-dihydropyridin-5-yl)prop-1-enyl]methanimine is sourced from PubChem (CID 134356823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).