N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide

C11H16ClN3O — CID 116651837

IUPACN-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(Cl)c[nH]1)C(CN)C1CC1
InChIInChI=1S/C11H16ClN3O/c1-15(10(5-13)7-2-3-7)11(16)9-4-8(12)6-14-9/h4,6-7,10,14H,2-3,5,13H2,1H3
InChIKeyIEZAPJFSPZKZHN-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.48
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 116651837) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID116651837
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(Cl)c[nH]1)C(CN)C1CC1
InChIInChI=1S/C11H16ClN3O/c1-15(10(5-13)7-2-3-7)11(16)9-4-8(12)6-14-9/h4,6-7,10,14H,2-3,5,13H2,1H3
InChIKeyIEZAPJFSPZKZHN-UHFFFAOYSA-N
XLogP1.48
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide (CID 116651837) is N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide is CN(C(=O)c1cc(Cl)c[nH]1)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is IEZAPJFSPZKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15(10(5-13)7-2-3-7)11(16)9-4-8(12)6-14-9/h4,6-7,10,14H,2-3,5,13H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 116651837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).