(2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide

C9H15N3O2 — CID 90904107

IUPAC(2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide
SMILESNC(=O)[C@@]1(C(=O)NC2CC2)CCCN1
InChIInChI=1S/C9H15N3O2/c10-7(13)9(4-1-5-11-9)8(14)12-6-2-3-6/h6,11H,1-5H2,(H2,10,13)(H,12,14)/t9-/m1/s1
InChIKeyNXDRSJGXTQVJLO-SECBINFHSA-N
MW197.24 g/mol
LogP-1.13
Rot. Bonds3

About (2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide

(2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide (PubChem CID 90904107) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide
PubChem CID90904107
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide
SMILESNC(=O)[C@@]1(C(=O)NC2CC2)CCCN1
InChIInChI=1S/C9H15N3O2/c10-7(13)9(4-1-5-11-9)8(14)12-6-2-3-6/h6,11H,1-5H2,(H2,10,13)(H,12,14)/t9-/m1/s1
InChIKeyNXDRSJGXTQVJLO-SECBINFHSA-N
XLogP-1.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide?
The IUPAC name of (2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide (CID 90904107) is (2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide?
The canonical SMILES for (2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide is NC(=O)[C@@]1(C(=O)NC2CC2)CCCN1.
What is the InChIKey of (2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide?
The InChIKey is NXDRSJGXTQVJLO-SECBINFHSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-7(13)9(4-1-5-11-9)8(14)12-6-2-3-6/h6,11H,1-5H2,(H2,10,13)(H,12,14)/t9-/m1/s1.
What are the key properties of (2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide?
(2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide has a molecular weight of 197.24 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N'-cyclopropylpyrrolidine-2,2-dicarboxamide is sourced from PubChem (CID 90904107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).