2-methyl-3,4-dihydro-2H-pyrrol-5-amine

C5H10N2 — CID 12778906

IUPAC2-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CCC(N)=N1
InChIInChI=1S/C5H10N2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyDDQFWSHGBVMBEM-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.53
Rot. Bonds

About 2-methyl-3,4-dihydro-2H-pyrrol-5-amine

2-methyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 12778906) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID12778906
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CCC(N)=N1
InChIInChI=1S/C5H10N2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyDDQFWSHGBVMBEM-UHFFFAOYSA-N
XLogP0.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 2-methyl-3,4-dihydro-2H-pyrrol-5-amine (CID 12778906) is 2-methyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-pyrrol-5-amine is CC1CCC(N)=N1.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is DDQFWSHGBVMBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7).
What are the key properties of 2-methyl-3,4-dihydro-2H-pyrrol-5-amine?
2-methyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 98.15 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 12778906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).