N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane

C11H17N — CID 144546246

IUPACN-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane
SMILESC=CC1=CCC=C1N=C.CCC
InChIInChI=1S/C8H9N.C3H8/c1-3-7-5-4-6-8(7)9-2;1-3-2/h3,5-6H,1-2,4H2;3H2,1-2H3
InChIKeyFTQQITFLFQOWLR-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.50
Rot. Bonds2

About N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane

N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane (PubChem CID 144546246) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane.

Molecular Properties

Compound NameN-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane
PubChem CID144546246
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane
SMILESC=CC1=CCC=C1N=C.CCC
InChIInChI=1S/C8H9N.C3H8/c1-3-7-5-4-6-8(7)9-2;1-3-2/h3,5-6H,1-2,4H2;3H2,1-2H3
InChIKeyFTQQITFLFQOWLR-UHFFFAOYSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.50
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

N-(6-ethenyl-4-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 142493166
N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
CID 152858957
N-(5-ethenyl-2,3-dihydropyridin-6-yl)methanimine
CID 142356722
N-ethenyl-N,N'-dimethylmethanimidamide;propane
CID 143328046
5-ethenyl-N-propan-2-ylcyclohepta-1,4,6-trien-1-amine
CID 144649841
1-[[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]amino]prop-2-en-1-ol
CID 163445325
N-(1-ethenylnaphthalen-2-yl)methanimine
CID 144754524
3-ethenyl-6-ethyl-1H-indene
CID 143036061
but-1-ene;propylidenecyclopropane
CID 23054525
2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene
CID 123379590
ethane;7-ethenyl-4-ethyl-N-methylcyclohepta-1,3,6-trien-1-amine
CID 145030276
4-ethenyl-N,N-dimethyl-5-(methylideneamino)pyridin-3-amine
CID 163269559

Frequently Asked Questions

What is the IUPAC name of N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane?
The IUPAC name of N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane (CID 144546246) is N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane.
What is the SMILES notation for N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane?
The canonical SMILES for N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane is C=CC1=CCC=C1N=C.CCC.
What is the InChIKey of N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane?
The InChIKey is FTQQITFLFQOWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C3H8/c1-3-7-5-4-6-8(7)9-2;1-3-2/h3,5-6H,1-2,4H2;3H2,1-2H3.
What are the key properties of N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane?
N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane has a molecular weight of 163.26 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenylcyclopenta-1,4-dien-1-yl)methanimine;propane is sourced from PubChem (CID 144546246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).