N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride

C9H16ClN3O — CID 130650761

IUPACN-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cc[nH]c1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-9(2,6-10)12-8(13)7-3-4-11-5-7;/h3-5,11H,6,10H2,1-2H3,(H,12,13);1H
InChIKeyHTEDGLJTVBKMES-UHFFFAOYSA-N
MW217.70 g/mol
LogP0.90
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 130650761) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID130650761
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1cc[nH]c1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-9(2,6-10)12-8(13)7-3-4-11-5-7;/h3-5,11H,6,10H2,1-2H3,(H,12,13);1H
InChIKeyHTEDGLJTVBKMES-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride (CID 130650761) is N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride is CC(C)(CN)NC(=O)c1cc[nH]c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is HTEDGLJTVBKMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-9(2,6-10)12-8(13)7-3-4-11-5-7;/h3-5,11H,6,10H2,1-2H3,(H,12,13);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 130650761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).