ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one

C18H21NO — CID 143417441

IUPACethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one
SMILESC/C=C\C1=C(C)Cc2c1[nH]c(=O)c1ccccc21.CC
InChIInChI=1S/C16H15NO.C2H6/c1-3-6-11-10(2)9-14-12-7-4-5-8-13(12)16(18)17-15(11)14;1-2/h3-8H,9H2,1-2H3,(H,17,18);1-2H3/b6-3-;
InChIKeyFYRXAPCNZJAYCI-AQPBACSKSA-N
MW267.37 g/mol
LogP4.46
Rot. Bonds1

About ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one

ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one (PubChem CID 143417441) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one.

Molecular Properties

Compound Nameethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one
PubChem CID143417441
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Nameethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one
SMILESC/C=C\C1=C(C)Cc2c1[nH]c(=O)c1ccccc21.CC
InChIInChI=1S/C16H15NO.C2H6/c1-3-6-11-10(2)9-14-12-7-4-5-8-13(12)16(18)17-15(11)14;1-2/h3-8H,9H2,1-2H3,(H,17,18);1-2H3/b6-3-;
InChIKeyFYRXAPCNZJAYCI-AQPBACSKSA-N
XLogP4.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydrocyclopenta[c]isoquinolin-5-one;ethane
CID 143417395
8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 58593003
6,11-dihydroindeno[1,2-c]isoquinolin-5-one;methanol
CID 91287320
8-methyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 58772534
methane;9-methyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 161223927
2-methyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dione
CID 130412008
10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 46865692
4-(dimethylamino)-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-10-yl)butanamide
CID 11847527
7-prop-1-enyl-1H-quinazoline-2,4-dione
CID 54401687
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
acetic acid;1H-quinazoline-2,4-dione
CID 67165558
2,3,4,5-tetrahydro-1H-phenanthridin-6-one;hydrochloride
CID 142809398

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one?
The IUPAC name of ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one (CID 143417441) is ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one.
What is the SMILES notation for ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one?
The canonical SMILES for ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one is C/C=C\C1=C(C)Cc2c1[nH]c(=O)c1ccccc21.CC.
What is the InChIKey of ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one?
The InChIKey is FYRXAPCNZJAYCI-AQPBACSKSA-N. The full InChI is InChI=1S/C16H15NO.C2H6/c1-3-6-11-10(2)9-14-12-7-4-5-8-13(12)16(18)17-15(11)14;1-2/h3-8H,9H2,1-2H3,(H,17,18);1-2H3/b6-3-;.
What are the key properties of ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one?
ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one has a molecular weight of 267.37 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one is sourced from PubChem (CID 143417441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).