3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine

C7H9ClN2 — CID 123532472

IUPAC3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine
SMILESC=C(Cl)c1cc[nH]c1NC
InChIInChI=1S/C7H9ClN2/c1-5(8)6-3-4-10-7(6)9-2/h3-4,9-10H,1H2,2H3
InChIKeyBTLROYGUJXCOSP-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.27
Rot. Bonds2

About 3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine

3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine (PubChem CID 123532472) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine
PubChem CID123532472
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine
SMILESC=C(Cl)c1cc[nH]c1NC
InChIInChI=1S/C7H9ClN2/c1-5(8)6-3-4-10-7(6)9-2/h3-4,9-10H,1H2,2H3
InChIKeyBTLROYGUJXCOSP-UHFFFAOYSA-N
XLogP2.27
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine?
The IUPAC name of 3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine (CID 123532472) is 3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine.
What is the SMILES notation for 3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine?
The canonical SMILES for 3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine is C=C(Cl)c1cc[nH]c1NC.
What is the InChIKey of 3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine?
The InChIKey is BTLROYGUJXCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5(8)6-3-4-10-7(6)9-2/h3-4,9-10H,1H2,2H3.
What are the key properties of 3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine?
3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine has a molecular weight of 156.62 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine is sourced from PubChem (CID 123532472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).