(2S)-pyrrolidine-2-carboximidamide

C5H11N3 — CID 54583301

IUPAC(2S)-pyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)[C@@H]1CCCN1
InChIInChI=1S/C5H11N3/c6-5(7)4-2-1-3-8-4/h4,8H,1-3H2,(H3,6,7)/t4-/m0/s1
InChIKeySYERHLYFHUKCKP-BYPYZUCNSA-N
MW113.16 g/mol
LogP-0.33
Rot. Bonds1

About (2S)-pyrrolidine-2-carboximidamide

(2S)-pyrrolidine-2-carboximidamide (PubChem CID 54583301) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (2S)-pyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name(2S)-pyrrolidine-2-carboximidamide
PubChem CID54583301
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(2S)-pyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)[C@@H]1CCCN1
InChIInChI=1S/C5H11N3/c6-5(7)4-2-1-3-8-4/h4,8H,1-3H2,(H3,6,7)/t4-/m0/s1
InChIKeySYERHLYFHUKCKP-BYPYZUCNSA-N
XLogP-0.33
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-pyrrolidine-2-carboximidamide?
The IUPAC name of (2S)-pyrrolidine-2-carboximidamide (CID 54583301) is (2S)-pyrrolidine-2-carboximidamide.
What is the SMILES notation for (2S)-pyrrolidine-2-carboximidamide?
The canonical SMILES for (2S)-pyrrolidine-2-carboximidamide is [H]/N=C(\N)[C@@H]1CCCN1.
What is the InChIKey of (2S)-pyrrolidine-2-carboximidamide?
The InChIKey is SYERHLYFHUKCKP-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11N3/c6-5(7)4-2-1-3-8-4/h4,8H,1-3H2,(H3,6,7)/t4-/m0/s1.
What are the key properties of (2S)-pyrrolidine-2-carboximidamide?
(2S)-pyrrolidine-2-carboximidamide has a molecular weight of 113.16 g/mol, XLogP of -0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-pyrrolidine-2-carboximidamide is sourced from PubChem (CID 54583301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).