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

C5H11ClN2 — CID 12778907

IUPAC2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCC1CCC(N)=N1.Cl
InChIInChI=1S/C5H10N2.ClH/c1-4-2-3-5(6)7-4;/h4H,2-3H2,1H3,(H2,6,7);1H
InChIKeyDOESRNRMSZKBBS-UHFFFAOYSA-N
MW134.61 g/mol
LogP0.95
Rot. Bonds

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

2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 12778907) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID12778907
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCC1CCC(N)=N1.Cl
InChIInChI=1S/C5H10N2.ClH/c1-4-2-3-5(6)7-4;/h4H,2-3H2,1H3,(H2,6,7);1H
InChIKeyDOESRNRMSZKBBS-UHFFFAOYSA-N
XLogP0.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 50.95
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;hydrochloride?
The IUPAC name of 2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 12778907) is 2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is CC1CCC(N)=N1.Cl.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is DOESRNRMSZKBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c1-4-2-3-5(6)7-4;/h4H,2-3H2,1H3,(H2,6,7);1H.
What are the key properties of 2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 134.61 g/mol, XLogP of 0.95, 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;hydrochloride is sourced from PubChem (CID 12778907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).