N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine

C8H10N2 — CID 59294208

IUPACN-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine
SMILESC=CC/N=C/C1C=CC=N1
InChIInChI=1S/C8H10N2/c1-2-5-9-7-8-4-3-6-10-8/h2-4,6-8H,1,5H2/b9-7+
InChIKeyDNKJKKVNMOLADZ-VQHVLOKHSA-N
MW134.18 g/mol
LogP1.25
Rot. Bonds3

About N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine

N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine (PubChem CID 59294208) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine
PubChem CID59294208
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC NameN-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine
SMILESC=CC/N=C/C1C=CC=N1
InChIInChI=1S/C8H10N2/c1-2-5-9-7-8-4-3-6-10-8/h2-4,6-8H,1,5H2/b9-7+
InChIKeyDNKJKKVNMOLADZ-VQHVLOKHSA-N
XLogP1.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-methyl-2H-pyrrole
CID 18970006
1,7-Diazaspiro[5.5]undeca-1,4,7,10-tetraene
CID 90730550
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
Pyrrole-spiro-pyrrole
CID 129739832
1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine
CID 89251919
N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine
CID 89251952
1-(2-fluoropyrrol-2-yl)-N-methylmethanimine
CID 89252040
2-(2H-pyrrol-2-yl)-2H-pyrrole
CID 58928042
1,2-dimethyl-2H-pyrrol-1-ium
CID 59790502
2-ethyl-2H-pyrrole
CID 67478601
2-Methyl-2,5-dihydropyridine
CID 68099548
N-propan-2-yl-2H-pyridin-3-imine
CID 69530945

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine?
The IUPAC name of N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine (CID 59294208) is N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine.
What is the SMILES notation for N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine?
The canonical SMILES for N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine is C=CC/N=C/C1C=CC=N1.
What is the InChIKey of N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine?
The InChIKey is DNKJKKVNMOLADZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-5-9-7-8-4-3-6-10-8/h2-4,6-8H,1,5H2/b9-7+.
What are the key properties of N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine?
N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine has a molecular weight of 134.18 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-(2H-pyrrol-2-yl)methanimine is sourced from PubChem (CID 59294208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).