N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide

C12H17N3O3 — CID 62015911

IUPACN-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CN1CCCC1CO)NC(=O)c1ccc[nH]1
InChIInChI=1S/C12H17N3O3/c16-8-9-3-2-6-15(9)7-11(17)14-12(18)10-4-1-5-13-10/h1,4-5,9,13,16H,2-3,6-8H2,(H,14,17,18)
InChIKeyORHYJOYSIIEOGQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.27
Rot. Bonds4

About N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide

N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide (PubChem CID 62015911) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
PubChem CID62015911
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CN1CCCC1CO)NC(=O)c1ccc[nH]1
InChIInChI=1S/C12H17N3O3/c16-8-9-3-2-6-15(9)7-11(17)14-12(18)10-4-1-5-13-10/h1,4-5,9,13,16H,2-3,6-8H2,(H,14,17,18)
InChIKeyORHYJOYSIIEOGQ-UHFFFAOYSA-N
XLogP-0.27
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 115316691
N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 62021956
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]benzamide
CID 60684983
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide
CID 116637743
N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-2-phenylacetamide
CID 66260986
N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 103353103
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide
CID 116637783
N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 66262005
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-2-phenylacetamide
CID 60684561
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 66260458
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 62013967
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 62015118

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide (CID 62015911) is N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide is O=C(CN1CCCC1CO)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ORHYJOYSIIEOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-8-9-3-2-6-15(9)7-11(17)14-12(18)10-4-1-5-13-10/h1,4-5,9,13,16H,2-3,6-8H2,(H,14,17,18).
What are the key properties of N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 62015911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).