N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine

C7H9N — CID 163815905

IUPACN-(cyclopenta-1,4-dien-1-ylmethyl)methanimine
SMILESC=NCC1=CCC=C1
InChIInChI=1S/C7H9N/c1-8-6-7-4-2-3-5-7/h2,4-5H,1,3,6H2
InChIKeyNRHMUMZADPRMTM-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.57
Rot. Bonds2

About N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine

N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine (PubChem CID 163815905) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine.

Molecular Properties

Compound NameN-(cyclopenta-1,4-dien-1-ylmethyl)methanimine
PubChem CID163815905
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-(cyclopenta-1,4-dien-1-ylmethyl)methanimine
SMILESC=NCC1=CCC=C1
InChIInChI=1S/C7H9N/c1-8-6-7-4-2-3-5-7/h2,4-5H,1,3,6H2
InChIKeyNRHMUMZADPRMTM-UHFFFAOYSA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.57
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

ethane;2-prop-2-enylcyclopenta-1,3-diene
CID 142584278
2-(2-bromoethyl)cyclopenta-1,3-diene
CID 91385772
ethane;2-propylcyclopenta-1,3-diene
CID 142052577
2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene
CID 15841181
2-(3-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 87447368
2-(methylsulfanylmethyl)cyclopenta-1,3-diene
CID 22555406
3-cyclopenta-1,4-dien-1-ylpropanal
CID 12934697
2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium
CID 175034285
N-(cyclopropen-1-ylmethyl)methanimine
CID 153084184
2-heptadecylcyclopenta-1,3-diene
CID 91156945
2-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrole
CID 55286110
cyclopenta-1,4-dien-1-ylmethoxy(trimethyl)silane
CID 22555170

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine?
The IUPAC name of N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine (CID 163815905) is N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine.
What is the SMILES notation for N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine?
The canonical SMILES for N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine is C=NCC1=CCC=C1.
What is the InChIKey of N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine?
The InChIKey is NRHMUMZADPRMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-8-6-7-4-2-3-5-7/h2,4-5H,1,3,6H2.
What are the key properties of N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine?
N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine has a molecular weight of 107.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine is sourced from PubChem (CID 163815905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).