2-(2-iminopyrrolidin-1-yl)-N-propylacetamide

C9H17N3O — CID 43567421

IUPAC2-(2-iminopyrrolidin-1-yl)-N-propylacetamide
SMILES[H]/N=C1\CCCN1CC(=O)NCCC
InChIInChI=1S/C9H17N3O/c1-2-5-11-9(13)7-12-6-3-4-8(12)10/h10H,2-7H2,1H3,(H,11,13)/b10-8+
InChIKeyZPLMFFJNBDGSDK-CSKARUKUSA-N
MW183.25 g/mol
LogP0.59
Rot. Bonds4

About 2-(2-iminopyrrolidin-1-yl)-N-propylacetamide

2-(2-iminopyrrolidin-1-yl)-N-propylacetamide (PubChem CID 43567421) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2-iminopyrrolidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-iminopyrrolidin-1-yl)-N-propylacetamide
PubChem CID43567421
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(2-iminopyrrolidin-1-yl)-N-propylacetamide
SMILES[H]/N=C1\CCCN1CC(=O)NCCC
InChIInChI=1S/C9H17N3O/c1-2-5-11-9(13)7-12-6-3-4-8(12)10/h10H,2-7H2,1H3,(H,11,13)/b10-8+
InChIKeyZPLMFFJNBDGSDK-CSKARUKUSA-N
XLogP0.59
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iminopyrrolidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(2-iminopyrrolidin-1-yl)-N-propylacetamide (CID 43567421) is 2-(2-iminopyrrolidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-iminopyrrolidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-iminopyrrolidin-1-yl)-N-propylacetamide is [H]/N=C1\CCCN1CC(=O)NCCC.
What is the InChIKey of 2-(2-iminopyrrolidin-1-yl)-N-propylacetamide?
The InChIKey is ZPLMFFJNBDGSDK-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-5-11-9(13)7-12-6-3-4-8(12)10/h10H,2-7H2,1H3,(H,11,13)/b10-8+.
What are the key properties of 2-(2-iminopyrrolidin-1-yl)-N-propylacetamide?
2-(2-iminopyrrolidin-1-yl)-N-propylacetamide has a molecular weight of 183.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminopyrrolidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 43567421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).