N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine

C10H13ClN2 — CID 123705930

IUPACN-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine
SMILESC=C(Cl)c1cc[nH]c1N=CC(C)C
InChIInChI=1S/C10H13ClN2/c1-7(2)6-13-10-9(8(3)11)4-5-12-10/h4-7,12H,3H2,1-2H3
InChIKeyONGKYBOOPCZVCP-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.58
Rot. Bonds3

About N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine

N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine (PubChem CID 123705930) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine
PubChem CID123705930
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC NameN-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine
SMILESC=C(Cl)c1cc[nH]c1N=CC(C)C
InChIInChI=1S/C10H13ClN2/c1-7(2)6-13-10-9(8(3)11)4-5-12-10/h4-7,12H,3H2,1-2H3
InChIKeyONGKYBOOPCZVCP-UHFFFAOYSA-N
XLogP3.58
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine?
The IUPAC name of N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine (CID 123705930) is N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine.
What is the SMILES notation for N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine?
The canonical SMILES for N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine is C=C(Cl)c1cc[nH]c1N=CC(C)C.
What is the InChIKey of N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine?
The InChIKey is ONGKYBOOPCZVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-7(2)6-13-10-9(8(3)11)4-5-12-10/h4-7,12H,3H2,1-2H3.
What are the key properties of N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine?
N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine has a molecular weight of 196.68 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine is sourced from PubChem (CID 123705930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).