N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine

C12H18N2 — CID 70315852

IUPACN-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
SMILESCC=C(/N=C/C1=C(C)CNC1)C1CC1
InChIInChI=1S/C12H18N2/c1-3-12(10-4-5-10)14-8-11-7-13-6-9(11)2/h3,8,10,13H,4-7H2,1-2H3/b12-3?,14-8+
InChIKeyUCKDKAAOTGECTA-WRRHTNGSSA-N
MW190.29 g/mol
LogP2.29
Rot. Bonds3

About N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine

N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine (PubChem CID 70315852) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
PubChem CID70315852
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine
SMILESCC=C(/N=C/C1=C(C)CNC1)C1CC1
InChIInChI=1S/C12H18N2/c1-3-12(10-4-5-10)14-8-11-7-13-6-9(11)2/h3,8,10,13H,4-7H2,1-2H3/b12-3?,14-8+
InChIKeyUCKDKAAOTGECTA-WRRHTNGSSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
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-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The IUPAC name of N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine (CID 70315852) is N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine.
What is the SMILES notation for N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The canonical SMILES for N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine is CC=C(/N=C/C1=C(C)CNC1)C1CC1.
What is the InChIKey of N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
The InChIKey is UCKDKAAOTGECTA-WRRHTNGSSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-12(10-4-5-10)14-8-11-7-13-6-9(11)2/h3,8,10,13H,4-7H2,1-2H3/b12-3?,14-8+.
What are the key properties of N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine?
N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine has a molecular weight of 190.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylprop-1-enyl)-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 70315852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).