2-amino-N-pyrrol-1-ylpropanamide;hydrochloride

C7H12ClN3O — CID 19973210

IUPAC2-amino-N-pyrrol-1-ylpropanamide;hydrochloride
SMILESCC(N)C(=O)Nn1cccc1.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-6(8)7(11)9-10-4-2-3-5-10;/h2-6H,8H2,1H3,(H,9,11);1H
InChIKeyXZULNBFQEVLPBY-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.33
Rot. Bonds2

About 2-amino-N-pyrrol-1-ylpropanamide;hydrochloride

2-amino-N-pyrrol-1-ylpropanamide;hydrochloride (PubChem CID 19973210) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 2-amino-N-pyrrol-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-pyrrol-1-ylpropanamide;hydrochloride
PubChem CID19973210
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name2-amino-N-pyrrol-1-ylpropanamide;hydrochloride
SMILESCC(N)C(=O)Nn1cccc1.Cl
InChIInChI=1S/C7H11N3O.ClH/c1-6(8)7(11)9-10-4-2-3-5-10;/h2-6H,8H2,1H3,(H,9,11);1H
InChIKeyXZULNBFQEVLPBY-UHFFFAOYSA-N
XLogP0.33
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pyrrol-1-ylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-pyrrol-1-ylpropanamide;hydrochloride (CID 19973210) is 2-amino-N-pyrrol-1-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-pyrrol-1-ylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-pyrrol-1-ylpropanamide;hydrochloride is CC(N)C(=O)Nn1cccc1.Cl.
What is the InChIKey of 2-amino-N-pyrrol-1-ylpropanamide;hydrochloride?
The InChIKey is XZULNBFQEVLPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c1-6(8)7(11)9-10-4-2-3-5-10;/h2-6H,8H2,1H3,(H,9,11);1H.
What are the key properties of 2-amino-N-pyrrol-1-ylpropanamide;hydrochloride?
2-amino-N-pyrrol-1-ylpropanamide;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pyrrol-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 19973210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).