1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine

C9H12N2 — CID 123667510

IUPAC1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine
SMILES[H]/N=C1\C(=C)C(C)=CN1C1CC1
InChIInChI=1S/C9H12N2/c1-6-5-11(8-3-4-8)9(10)7(6)2/h5,8,10H,2-4H2,1H3/b10-9+
InChIKeyZATOOIURAZLZHZ-MDZDMXLPSA-N
MW148.21 g/mol
LogP1.90
Rot. Bonds1

About 1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine

1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine (PubChem CID 123667510) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine
PubChem CID123667510
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine
SMILES[H]/N=C1\C(=C)C(C)=CN1C1CC1
InChIInChI=1S/C9H12N2/c1-6-5-11(8-3-4-8)9(10)7(6)2/h5,8,10H,2-4H2,1H3/b10-9+
InChIKeyZATOOIURAZLZHZ-MDZDMXLPSA-N
XLogP1.90
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine?
The IUPAC name of 1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine (CID 123667510) is 1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine.
What is the SMILES notation for 1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine?
The canonical SMILES for 1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine is [H]/N=C1\C(=C)C(C)=CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine?
The InChIKey is ZATOOIURAZLZHZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H12N2/c1-6-5-11(8-3-4-8)9(10)7(6)2/h5,8,10H,2-4H2,1H3/b10-9+.
What are the key properties of 1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine?
1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine has a molecular weight of 148.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-3-methylidenepyrrol-2-imine is sourced from PubChem (CID 123667510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).