N-prop-2-enylcyclopent-3-en-1-imine

C8H11N — CID 57285270

IUPACN-prop-2-enylcyclopent-3-en-1-imine
SMILESC=CCN=C1CC=CC1
InChIInChI=1S/C8H11N/c1-2-7-9-8-5-3-4-6-8/h2-4H,1,5-7H2
InChIKeyAYWRNVMVYPEEKC-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds2

About N-prop-2-enylcyclopent-3-en-1-imine

N-prop-2-enylcyclopent-3-en-1-imine (PubChem CID 57285270) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-prop-2-enylcyclopent-3-en-1-imine.

Molecular Properties

Compound NameN-prop-2-enylcyclopent-3-en-1-imine
PubChem CID57285270
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-prop-2-enylcyclopent-3-en-1-imine
SMILESC=CCN=C1CC=CC1
InChIInChI=1S/C8H11N/c1-2-7-9-8-5-3-4-6-8/h2-4H,1,5-7H2
InChIKeyAYWRNVMVYPEEKC-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-fluoro-5-[[(2R)-2-fluoro-2H-pyrrol-5-yl]methyl]-2H-pyrrole
CID 101378278
5-ethyl-2H-pyrrole
CID 20725724
5-ethyl-1-methyl-2H-pyrrol-1-ium
CID 20749702
Allyl-(1-methyl-pent-4-enylidene)-amine
CID 22036666
5-undec-10-enyl-2H-pyrrole
CID 54135361
6-Methyl-2,5-dihydropyridine
CID 56607220
6-(2,5-Dihydropyridin-6-yl)-2,5-dihydropyridine
CID 56999028
N-methylcyclopent-3-en-1-imine
CID 57004337
6-Ethyl-2,5-dihydropyridine
CID 57319207
5-propyl-2H-pyrrole
CID 58270090
5-pentyl-2H-pyrrole
CID 58270101
N-methylcyclopent-2-en-1-imine
CID 58544010

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylcyclopent-3-en-1-imine?
The IUPAC name of N-prop-2-enylcyclopent-3-en-1-imine (CID 57285270) is N-prop-2-enylcyclopent-3-en-1-imine.
What is the SMILES notation for N-prop-2-enylcyclopent-3-en-1-imine?
The canonical SMILES for N-prop-2-enylcyclopent-3-en-1-imine is C=CCN=C1CC=CC1.
What is the InChIKey of N-prop-2-enylcyclopent-3-en-1-imine?
The InChIKey is AYWRNVMVYPEEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-7-9-8-5-3-4-6-8/h2-4H,1,5-7H2.
What are the key properties of N-prop-2-enylcyclopent-3-en-1-imine?
N-prop-2-enylcyclopent-3-en-1-imine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylcyclopent-3-en-1-imine is sourced from PubChem (CID 57285270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).