(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine

C8H12N2 — CID 142308881

IUPAC(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine
SMILESCC/C=C1/C=CN/C1=N\C
InChIInChI=1S/C8H12N2/c1-3-4-7-5-6-10-8(7)9-2/h4-6H,3H2,1-2H3,(H,9,10)/b7-4-
InChIKeyCLMIZXCBZWMNRO-DAXSKMNVSA-N
MW136.20 g/mol
LogP1.47
Rot. Bonds1

About (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine

(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine (PubChem CID 142308881) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine
PubChem CID142308881
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine
SMILESCC/C=C1/C=CN/C1=N\C
InChIInChI=1S/C8H12N2/c1-3-4-7-5-6-10-8(7)9-2/h4-6H,3H2,1-2H3,(H,9,10)/b7-4-
InChIKeyCLMIZXCBZWMNRO-DAXSKMNVSA-N
XLogP1.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
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(3Z)-3-ethylidene-N-(1-fluoroethyl)-1H-pyrrol-2-imine
CID 173810774
(3Z)-3-ethylidene-N-(fluoromethyl)-1H-pyrrol-2-imine
CID 173891209
6-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142308840
N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine
CID 145149501
1,2-Dihydroimidazol-2-ide;2-methylcyclopenta-1,3-diene;ruthenium(2+)
CID 87611518
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CID 89012886
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine?
The IUPAC name of (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine (CID 142308881) is (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine.
What is the SMILES notation for (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine?
The canonical SMILES for (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine is CC/C=C1/C=CN/C1=N\C.
What is the InChIKey of (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine?
The InChIKey is CLMIZXCBZWMNRO-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-4-7-5-6-10-8(7)9-2/h4-6H,3H2,1-2H3,(H,9,10)/b7-4-.
What are the key properties of (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine?
(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine has a molecular weight of 136.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine is sourced from PubChem (CID 142308881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).