1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine

C8H16N4O — CID 167021809

IUPAC1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1CCN(C(C)=O)C1
InChIInChI=1S/C8H16N4O/c1-6(13)12-4-3-7(5-12)11-8(9)10-2/h7H,3-5H2,1-2H3,(H3,9,10,11)
InChIKeyQANOQPXJQJHGDU-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.86
Rot. Bonds1

About 1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine

1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine (PubChem CID 167021809) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine
PubChem CID167021809
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1CCN(C(C)=O)C1
InChIInChI=1S/C8H16N4O/c1-6(13)12-4-3-7(5-12)11-8(9)10-2/h7H,3-5H2,1-2H3,(H3,9,10,11)
InChIKeyQANOQPXJQJHGDU-UHFFFAOYSA-N
XLogP-0.86
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
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 1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine?
The IUPAC name of 1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine (CID 167021809) is 1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine.
What is the SMILES notation for 1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine?
The canonical SMILES for 1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine is C/N=C(\N)NC1CCN(C(C)=O)C1.
What is the InChIKey of 1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine?
The InChIKey is QANOQPXJQJHGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(13)12-4-3-7(5-12)11-8(9)10-2/h7H,3-5H2,1-2H3,(H3,9,10,11).
What are the key properties of 1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine?
1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine has a molecular weight of 184.24 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpyrrolidin-3-yl)-2-methylguanidine is sourced from PubChem (CID 167021809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).