2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one

C11H16N2O — CID 11240959

IUPAC2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one
SMILESCCCc1nc2c([nH]1)CCCCC2=O
InChIInChI=1S/C11H16N2O/c1-2-5-10-12-8-6-3-4-7-9(14)11(8)13-10/h2-7H2,1H3,(H,12,13)
InChIKeyDCHAIIGOSFZNGS-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.27
Rot. Bonds2

About 2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one

2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one (PubChem CID 11240959) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one.

Molecular Properties

Compound Name2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one
PubChem CID11240959
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one
SMILESCCCc1nc2c([nH]1)CCCCC2=O
InChIInChI=1S/C11H16N2O/c1-2-5-10-12-8-6-3-4-7-9(14)11(8)13-10/h2-7H2,1H3,(H,12,13)
InChIKeyDCHAIIGOSFZNGS-UHFFFAOYSA-N
XLogP2.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one?
The IUPAC name of 2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one (CID 11240959) is 2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one.
What is the SMILES notation for 2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one?
The canonical SMILES for 2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one is CCCc1nc2c([nH]1)CCCCC2=O.
What is the InChIKey of 2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one?
The InChIKey is DCHAIIGOSFZNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-5-10-12-8-6-3-4-7-9(14)11(8)13-10/h2-7H2,1H3,(H,12,13).
What are the key properties of 2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one?
2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one has a molecular weight of 192.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5,6,7,8-tetrahydro-1H-cyclohepta[d]imidazol-4-one is sourced from PubChem (CID 11240959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).