N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride

C10H16ClN3O — CID 130762927

IUPACN-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(C(=O)NC2CC2N)[nH]1.Cl
InChIInChI=1S/C10H15N3O.ClH/c1-5-3-6(2)12-9(5)10(14)13-8-4-7(8)11;/h3,7-8,12H,4,11H2,1-2H3,(H,13,14);1H
InChIKeyQTEORGRYEJUXTN-UHFFFAOYSA-N
MW229.71 g/mol
LogP0.88
Rot. Bonds2

About N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride

N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 130762927) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID130762927
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(C(=O)NC2CC2N)[nH]1.Cl
InChIInChI=1S/C10H15N3O.ClH/c1-5-3-6(2)12-9(5)10(14)13-8-4-7(8)11;/h3,7-8,12H,4,11H2,1-2H3,(H,13,14);1H
InChIKeyQTEORGRYEJUXTN-UHFFFAOYSA-N
XLogP0.88
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride (CID 130762927) is N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride is Cc1cc(C)c(C(=O)NC2CC2N)[nH]1.Cl.
What is the InChIKey of N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is QTEORGRYEJUXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.ClH/c1-5-3-6(2)12-9(5)10(14)13-8-4-7(8)11;/h3,7-8,12H,4,11H2,1-2H3,(H,13,14);1H.
What are the key properties of N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride?
N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 130762927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).