1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone

C14H17NO2 — CID 156546713

IUPAC1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone
SMILESCOCC(=O)N1Cc2ccc(C3CC3)cc2C1
InChIInChI=1S/C14H17NO2/c1-17-9-14(16)15-7-12-5-4-11(10-2-3-10)6-13(12)8-15/h4-6,10H,2-3,7-9H2,1H3
InChIKeyHWNZUXHYJSGAQR-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.05
Rot. Bonds3

About 1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone

1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone (PubChem CID 156546713) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone
PubChem CID156546713
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone
SMILESCOCC(=O)N1Cc2ccc(C3CC3)cc2C1
InChIInChI=1S/C14H17NO2/c1-17-9-14(16)15-7-12-5-4-11(10-2-3-10)6-13(12)8-15/h4-6,10H,2-3,7-9H2,1H3
InChIKeyHWNZUXHYJSGAQR-UHFFFAOYSA-N
XLogP2.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-2-methoxyethanone
CID 82175405
1-[5-(1-hydroxy-2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-methoxyethanone
CID 82175407
1-[5-[amino-(4-methylphenyl)methyl]-1,3-dihydroisoindol-2-yl]-2-methoxyethanone
CID 82175402
1-[5-(1-hydroxypentyl)-1,3-dihydroisoindol-2-yl]-2-methoxyethanone
CID 82175410
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxyethanone
CID 60968764
2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 110479220
tert-butyl 6-cyclopropyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 139461198
1-[3-(4-tert-butylphenyl)azetidin-1-yl]-2-methoxyethanone
CID 69029834
5-methoxy-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]pentane-1,4-dione
CID 156823113
2-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997266
2-(2-ethoxyacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997130
2-methoxy-1-(3-phenylazepan-1-yl)ethanone
CID 90608413

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone?
The IUPAC name of 1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone (CID 156546713) is 1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone?
The canonical SMILES for 1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone is COCC(=O)N1Cc2ccc(C3CC3)cc2C1.
What is the InChIKey of 1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone?
The InChIKey is HWNZUXHYJSGAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-9-14(16)15-7-12-5-4-11(10-2-3-10)6-13(12)8-15/h4-6,10H,2-3,7-9H2,1H3.
What are the key properties of 1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone?
1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone has a molecular weight of 231.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3-dihydroisoindol-2-yl)-2-methoxyethanone is sourced from PubChem (CID 156546713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).