(E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine

C9H11N — CID 23381955

IUPAC(E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine
SMILESC/N=C/C=C/C1=CCC=C1
InChIInChI=1S/C9H11N/c1-10-8-4-7-9-5-2-3-6-9/h2,4-8H,3H2,1H3/b7-4+,10-8+
InChIKeyIHJPUYCKOBOTPP-DAAQNPAKSA-N
MW133.19 g/mol
LogP2.13
Rot. Bonds2

About (E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine

(E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine (PubChem CID 23381955) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine
PubChem CID23381955
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine
SMILESC/N=C/C=C/C1=CCC=C1
InChIInChI=1S/C9H11N/c1-10-8-4-7-9-5-2-3-6-9/h2,4-8H,3H2,1H3/b7-4+,10-8+
InChIKeyIHJPUYCKOBOTPP-DAAQNPAKSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-but-1-enylcyclopenta-1,3-diene
CID 73196654
dichlorozirconium;2-hex-1-enylcyclopenta-1,3-diene
CID 175026827
(Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal
CID 143108050
2-[(E)-2-cyclopenta-1,4-dien-1-ylethenyl]-9-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]carbazole
CID 155323593
N-cyclopenta-1,4-dien-1-ylethanimine
CID 123152583
[(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea
CID 134103367
(2Z,4Z)-N-methylhexa-2,4-dien-1-imine
CID 88859437
N-methylhepta-2,4,6-trien-1-imine
CID 54148857
N-[(1E,3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dienyl]aniline
CID 155273874
cyclopenta-1,4-dien-1-yl(diethyl)phosphane
CID 137294143
(Z)-3-(2-ethylcyclopenta-1,3,4-trien-1-yl)-N-methylprop-2-en-1-imine
CID 139552252
5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-ol
CID 142555250

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine?
The IUPAC name of (E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine (CID 23381955) is (E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine.
What is the SMILES notation for (E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine?
The canonical SMILES for (E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine is C/N=C/C=C/C1=CCC=C1.
What is the InChIKey of (E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine?
The InChIKey is IHJPUYCKOBOTPP-DAAQNPAKSA-N. The full InChI is InChI=1S/C9H11N/c1-10-8-4-7-9-5-2-3-6-9/h2,4-8H,3H2,1H3/b7-4+,10-8+.
What are the key properties of (E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine?
(E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine has a molecular weight of 133.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopenta-1,4-dien-1-yl-N-methylprop-2-en-1-imine is sourced from PubChem (CID 23381955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).