N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride

C9H16ClN3O — CID 130611242

IUPACN-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCc1c[nH]cc1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-6-4-11-5-8(6)9(13)12-7(2)3-10;/h4-5,7,11H,3,10H2,1-2H3,(H,12,13);1H/t7-;/m0./s1
InChIKeyBLILICXROSKISI-FJXQXJEOSA-N
MW217.70 g/mol
LogP0.82
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 130611242) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID130611242
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCc1c[nH]cc1C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-6-4-11-5-8(6)9(13)12-7(2)3-10;/h4-5,7,11H,3,10H2,1-2H3,(H,12,13);1H/t7-;/m0./s1
InChIKeyBLILICXROSKISI-FJXQXJEOSA-N
XLogP0.82
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride (CID 130611242) is N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride is Cc1c[nH]cc1C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is BLILICXROSKISI-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-6-4-11-5-8(6)9(13)12-7(2)3-10;/h4-5,7,11H,3,10H2,1-2H3,(H,12,13);1H/t7-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 130611242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).