3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine

C11H16N2 — CID 144801133

IUPAC3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine
SMILESC=C1C=CN(CCC)/C1=N\C=C/C
InChIInChI=1S/C11H16N2/c1-4-7-12-11-10(3)6-9-13(11)8-5-2/h4,6-7,9H,3,5,8H2,1-2H3/b7-4-,12-11-
InChIKeyLWAFVHHNPBULRS-LJTPHFKJSA-N
MW176.26 g/mol
LogP2.71
Rot. Bonds3

About 3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine

3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine (PubChem CID 144801133) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine.

Molecular Properties

Compound Name3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine
PubChem CID144801133
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine
SMILESC=C1C=CN(CCC)/C1=N\C=C/C
InChIInChI=1S/C11H16N2/c1-4-7-12-11-10(3)6-9-13(11)8-5-2/h4,6-7,9H,3,5,8H2,1-2H3/b7-4-,12-11-
InChIKeyLWAFVHHNPBULRS-LJTPHFKJSA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
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 3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine?
The IUPAC name of 3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine (CID 144801133) is 3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine.
What is the SMILES notation for 3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine?
The canonical SMILES for 3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine is C=C1C=CN(CCC)/C1=N\C=C/C.
What is the InChIKey of 3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine?
The InChIKey is LWAFVHHNPBULRS-LJTPHFKJSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-7-12-11-10(3)6-9-13(11)8-5-2/h4,6-7,9H,3,5,8H2,1-2H3/b7-4-,12-11-.
What are the key properties of 3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine?
3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine has a molecular weight of 176.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine is sourced from PubChem (CID 144801133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).