N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine

C9H10N2 — CID 174047571

IUPACN-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine
SMILESC=CC=Nc1cccn1C=C
InChIInChI=1S/C9H10N2/c1-3-7-10-9-6-5-8-11(9)4-2/h3-8H,1-2H2
InChIKeyRSDUHTZXGWIUHF-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.48
Rot. Bonds3

About N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine

N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine (PubChem CID 174047571) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine
PubChem CID174047571
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC NameN-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine
SMILESC=CC=Nc1cccn1C=C
InChIInChI=1S/C9H10N2/c1-3-7-10-9-6-5-8-11(9)4-2/h3-8H,1-2H2
InChIKeyRSDUHTZXGWIUHF-UHFFFAOYSA-N
XLogP2.48
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine?
The IUPAC name of N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine (CID 174047571) is N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine.
What is the SMILES notation for N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine?
The canonical SMILES for N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine is C=CC=Nc1cccn1C=C.
What is the InChIKey of N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine?
The InChIKey is RSDUHTZXGWIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-7-10-9-6-5-8-11(9)4-2/h3-8H,1-2H2.
What are the key properties of N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine?
N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine has a molecular weight of 146.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine is sourced from PubChem (CID 174047571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).