N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide

C10H15N3O2 — CID 141205453

IUPACN-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CNCC2O)c1
InChIInChI=1S/C10H15N3O2/c1-13-3-2-7(6-13)10(15)12-8-4-11-5-9(8)14/h2-3,6,8-9,11,14H,4-5H2,1H3,(H,12,15)
InChIKeyXHXZFMNSIMHRBW-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.91
Rot. Bonds2

About N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide

N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide (PubChem CID 141205453) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide
PubChem CID141205453
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CNCC2O)c1
InChIInChI=1S/C10H15N3O2/c1-13-3-2-7(6-13)10(15)12-8-4-11-5-9(8)14/h2-3,6,8-9,11,14H,4-5H2,1H3,(H,12,15)
InChIKeyXHXZFMNSIMHRBW-UHFFFAOYSA-N
XLogP-0.91
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide (CID 141205453) is N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide is Cn1ccc(C(=O)NC2CNCC2O)c1.
What is the InChIKey of N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide?
The InChIKey is XHXZFMNSIMHRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-3-2-7(6-13)10(15)12-8-4-11-5-9(8)14/h2-3,6,8-9,11,14H,4-5H2,1H3,(H,12,15).
What are the key properties of N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide?
N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypyrrolidin-3-yl)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 141205453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).