ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one

C13H18N2O — CID 143658730

IUPACethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one
SMILESCC.O=C1CN2C=CC3=C(CCCC3)C2=N1
InChIInChI=1S/C11H12N2O.C2H6/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10;1-2/h5-6H,1-4,7H2;1-2H3
InChIKeyQQZPXAOEYRYZDV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.65
Rot. Bonds

About ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one

ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one (PubChem CID 143658730) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one.

Molecular Properties

Compound Nameethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one
PubChem CID143658730
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one
SMILESCC.O=C1CN2C=CC3=C(CCCC3)C2=N1
InChIInChI=1S/C11H12N2O.C2H6/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10;1-2/h5-6H,1-4,7H2;1-2H3
InChIKeyQQZPXAOEYRYZDV-UHFFFAOYSA-N
XLogP2.65
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Spiro[7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline-3,1'-cyclopentane]-2-one
CID 21875505
7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one
CID 58746149
N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide
CID 142158226
7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one;5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-2-one
CID 158152485
8-methyl-7-[(Z)-prop-1-enyl]-3H-imidazo[1,2-a]pyridin-2-one
CID 163467837

Frequently Asked Questions

What is the IUPAC name of ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one?
The IUPAC name of ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one (CID 143658730) is ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one.
What is the SMILES notation for ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one?
The canonical SMILES for ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one is CC.O=C1CN2C=CC3=C(CCCC3)C2=N1.
What is the InChIKey of ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one?
The InChIKey is QQZPXAOEYRYZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c14-10-7-13-6-5-8-3-1-2-4-9(8)11(13)12-10;1-2/h5-6H,1-4,7H2;1-2H3.
What are the key properties of ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one?
ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one is sourced from PubChem (CID 143658730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).