1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one

C11H20N2O — CID 155936408

IUPAC1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one
SMILESCCCCCN1C(=O)CN2CCCC21
InChIInChI=1S/C11H20N2O/c1-2-3-4-8-13-10-6-5-7-12(10)9-11(13)14/h10H,2-9H2,1H3
InChIKeyQIAQXDDDRBXIJI-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.44
Rot. Bonds4

About 1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one

1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one (PubChem CID 155936408) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one.

Molecular Properties

Compound Name1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one
PubChem CID155936408
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one
SMILESCCCCCN1C(=O)CN2CCCC21
InChIInChI=1S/C11H20N2O/c1-2-3-4-8-13-10-6-5-7-12(10)9-11(13)14/h10H,2-9H2,1H3
InChIKeyQIAQXDDDRBXIJI-UHFFFAOYSA-N
XLogP1.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
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-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one?
The IUPAC name of 1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one (CID 155936408) is 1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one.
What is the SMILES notation for 1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one?
The canonical SMILES for 1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one is CCCCCN1C(=O)CN2CCCC21.
What is the InChIKey of 1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one?
The InChIKey is QIAQXDDDRBXIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-4-8-13-10-6-5-7-12(10)9-11(13)14/h10H,2-9H2,1H3.
What are the key properties of 1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one?
1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-a]imidazol-2-one is sourced from PubChem (CID 155936408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).