Cyclopenta-1,4-dien-1-ylmethanimine

C6H7N — CID 91263645

IUPACcyclopenta-1,4-dien-1-ylmethanimine
SMILESC1C=CC(=C1)C=N
InChIInChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1,3-5,7H,2H2
InChIKeyCBJMNRKABLAFAC-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.10
Rot. Bonds1

About Cyclopenta-1,4-dien-1-ylmethanimine

Cyclopenta-1,4-dien-1-ylmethanimine (PubChem CID 91263645) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-ylmethanimine.

Molecular Properties

Compound NameCyclopenta-1,4-dien-1-ylmethanimine
PubChem CID91263645
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Namecyclopenta-1,4-dien-1-ylmethanimine
SMILESC1C=CC(=C1)C=N
InChIInChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1,3-5,7H,2H2
InChIKeyCBJMNRKABLAFAC-UHFFFAOYSA-N
XLogP1.10
TPSA23.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity131

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-2-ethenyl-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 164068110
(5-Methanimidoylcyclopenta-1,4-dien-1-yl)methanimine
CID 90811439
(3-Methanimidoylcyclopenta-1,3-dien-1-yl)methanimine
CID 91289315
4-Methylnona-2,4,6,8-tetraen-1-imine
CID 91326389
4-Methylpenta-2,4-dienylideneazanium
CID 91576873
Phenylmethylideneazanide;ruthenium(2+)
CID 162400041
(3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine
CID 162723464
Cyclopenta-1,3-dien-1-ylmethanimine
CID 20234812
(2E,4E)-3-methylhexa-2,4-dien-1-imine
CID 21721518
Cyclopenta-2,4-dien-1-ylmethanimine
CID 53930956
(Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine
CID 55290816
Phenylmethylideneazanide;yttrium
CID 58999598

Frequently Asked Questions

What is the IUPAC name of Cyclopenta-1,4-dien-1-ylmethanimine?
The IUPAC name of Cyclopenta-1,4-dien-1-ylmethanimine (CID 91263645) is cyclopenta-1,4-dien-1-ylmethanimine.
What is the SMILES notation for Cyclopenta-1,4-dien-1-ylmethanimine?
The canonical SMILES for Cyclopenta-1,4-dien-1-ylmethanimine is C1C=CC(=C1)C=N.
What is the InChIKey of Cyclopenta-1,4-dien-1-ylmethanimine?
The InChIKey is CBJMNRKABLAFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1,3-5,7H,2H2.
What are the key properties of Cyclopenta-1,4-dien-1-ylmethanimine?
Cyclopenta-1,4-dien-1-ylmethanimine has a molecular weight of 93.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclopenta-1,4-dien-1-ylmethanimine is sourced from PubChem (CID 91263645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).