1-[3-(methylamino)propyl]imidazolidin-2-one

C7H15N3O — CID 22381192

IUPAC1-[3-(methylamino)propyl]imidazolidin-2-one
SMILESCNCCCN1CCNC1=O
InChIInChI=1S/C7H15N3O/c1-8-3-2-5-10-6-4-9-7(10)11/h8H,2-6H2,1H3,(H,9,11)
InChIKeyPBEHKSXYRLKENN-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.38
Rot. Bonds4

About 1-[3-(methylamino)propyl]imidazolidin-2-one

1-[3-(methylamino)propyl]imidazolidin-2-one (PubChem CID 22381192) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]imidazolidin-2-one
PubChem CID22381192
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-[3-(methylamino)propyl]imidazolidin-2-one
SMILESCNCCCN1CCNC1=O
InChIInChI=1S/C7H15N3O/c1-8-3-2-5-10-6-4-9-7(10)11/h8H,2-6H2,1H3,(H,9,11)
InChIKeyPBEHKSXYRLKENN-UHFFFAOYSA-N
XLogP-0.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(methylamino)propyl]imidazolidin-2-one (CID 22381192) is 1-[3-(methylamino)propyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(methylamino)propyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(methylamino)propyl]imidazolidin-2-one is CNCCCN1CCNC1=O.
What is the InChIKey of 1-[3-(methylamino)propyl]imidazolidin-2-one?
The InChIKey is PBEHKSXYRLKENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-8-3-2-5-10-6-4-9-7(10)11/h8H,2-6H2,1H3,(H,9,11).
What are the key properties of 1-[3-(methylamino)propyl]imidazolidin-2-one?
1-[3-(methylamino)propyl]imidazolidin-2-one has a molecular weight of 157.22 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]imidazolidin-2-one is sourced from PubChem (CID 22381192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).