3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide

C10H14N2O — CID 126987776

IUPAC3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc[nH]c1C(=O)N[C@@H]1C[C@H]1C
InChIInChI=1S/C10H14N2O/c1-6-3-4-11-9(6)10(13)12-8-5-7(8)2/h3-4,7-8,11H,5H2,1-2H3,(H,12,13)/t7-,8-/m1/s1
InChIKeyGATSAJACGNPBKF-HTQZYQBOSA-N
MW178.24 g/mol
LogP1.46
Rot. Bonds2

About 3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide

3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide (PubChem CID 126987776) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide
PubChem CID126987776
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc[nH]c1C(=O)N[C@@H]1C[C@H]1C
InChIInChI=1S/C10H14N2O/c1-6-3-4-11-9(6)10(13)12-8-5-7(8)2/h3-4,7-8,11H,5H2,1-2H3,(H,12,13)/t7-,8-/m1/s1
InChIKeyGATSAJACGNPBKF-HTQZYQBOSA-N
XLogP1.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide (CID 126987776) is 3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide is Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]1C.
What is the InChIKey of 3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide?
The InChIKey is GATSAJACGNPBKF-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-3-4-11-9(6)10(13)12-8-5-7(8)2/h3-4,7-8,11H,5H2,1-2H3,(H,12,13)/t7-,8-/m1/s1.
What are the key properties of 3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide?
3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide has a molecular weight of 178.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R,2R)-2-methylcyclopropyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126987776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).