N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide

C10H15N3O2 — CID 74884160

IUPACN-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc[nH]1)C1CNCC1O
InChIInChI=1S/C10H15N3O2/c1-13(8-5-11-6-9(8)14)10(15)7-3-2-4-12-7/h2-4,8-9,11-12,14H,5-6H2,1H3
InChIKeyXECMPTJJQKOJTE-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.58
Rot. Bonds2

About N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide

N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 74884160) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID74884160
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(C(=O)c1ccc[nH]1)C1CNCC1O
InChIInChI=1S/C10H15N3O2/c1-13(8-5-11-6-9(8)14)10(15)7-3-2-4-12-7/h2-4,8-9,11-12,14H,5-6H2,1H3
InChIKeyXECMPTJJQKOJTE-UHFFFAOYSA-N
XLogP-0.58
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide (CID 74884160) is N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide is CN(C(=O)c1ccc[nH]1)C1CNCC1O.
What is the InChIKey of N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is XECMPTJJQKOJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13(8-5-11-6-9(8)14)10(15)7-3-2-4-12-7/h2-4,8-9,11-12,14H,5-6H2,1H3.
What are the key properties of N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide?
N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 74884160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).