2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide

C8H16N4O — CID 58620294

IUPAC2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESC/C(N)=N\CC(=O)N[C@H]1CCNC1
InChIInChI=1S/C8H16N4O/c1-6(9)11-5-8(13)12-7-2-3-10-4-7/h7,10H,2-5H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
InChIKeyLYBAEGHPHNKWJP-ZETCQYMHSA-N
MW184.24 g/mol
LogP-1.16
Rot. Bonds3

About 2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide

2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 58620294) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID58620294
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESC/C(N)=N\CC(=O)N[C@H]1CCNC1
InChIInChI=1S/C8H16N4O/c1-6(9)11-5-8(13)12-7-2-3-10-4-7/h7,10H,2-5H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
InChIKeyLYBAEGHPHNKWJP-ZETCQYMHSA-N
XLogP-1.16
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide (CID 58620294) is 2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide is C/C(N)=N\CC(=O)N[C@H]1CCNC1.
What is the InChIKey of 2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is LYBAEGHPHNKWJP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(9)11-5-8(13)12-7-2-3-10-4-7/h7,10H,2-5H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1.
What are the key properties of 2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide?
2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 184.24 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 58620294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).