4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine

C7H13N3 — CID 145301472

IUPAC4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine
SMILESCN1CCC(/C=C\N)=C1N
InChIInChI=1S/C7H13N3/c1-10-5-3-6(2-4-8)7(10)9/h2,4H,3,5,8-9H2,1H3/b4-2-
InChIKeySHJUNOQLEKIZPH-RQOWECAXSA-N
MW139.20 g/mol
LogP-0.04
Rot. Bonds1

About 4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine

4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine (PubChem CID 145301472) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine.

Molecular Properties

Compound Name4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine
PubChem CID145301472
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine
SMILESCN1CCC(/C=C\N)=C1N
InChIInChI=1S/C7H13N3/c1-10-5-3-6(2-4-8)7(10)9/h2,4H,3,5,8-9H2,1H3/b4-2-
InChIKeySHJUNOQLEKIZPH-RQOWECAXSA-N
XLogP-0.04
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine?
The IUPAC name of 4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine (CID 145301472) is 4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine.
What is the SMILES notation for 4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine?
The canonical SMILES for 4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine is CN1CCC(/C=C\N)=C1N.
What is the InChIKey of 4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine?
The InChIKey is SHJUNOQLEKIZPH-RQOWECAXSA-N. The full InChI is InChI=1S/C7H13N3/c1-10-5-3-6(2-4-8)7(10)9/h2,4H,3,5,8-9H2,1H3/b4-2-.
What are the key properties of 4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine?
4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine has a molecular weight of 139.20 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-aminoethenyl]-1-methyl-2,3-dihydropyrrol-5-amine is sourced from PubChem (CID 145301472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).