2-prop-1-enyl-3H-isoindol-1-one

C11H11NO — CID 172846777

IUPAC2-prop-1-enyl-3H-isoindol-1-one
SMILESCC=CN1Cc2ccccc2C1=O
InChIInChI=1S/C11H11NO/c1-2-7-12-8-9-5-3-4-6-10(9)11(12)13/h2-7H,8H2,1H3
InChIKeyXNLLYOZFCKHFNS-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.18
Rot. Bonds1

About 2-prop-1-enyl-3H-isoindol-1-one

2-prop-1-enyl-3H-isoindol-1-one (PubChem CID 172846777) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-prop-1-enyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-prop-1-enyl-3H-isoindol-1-one
PubChem CID172846777
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-prop-1-enyl-3H-isoindol-1-one
SMILESCC=CN1Cc2ccccc2C1=O
InChIInChI=1S/C11H11NO/c1-2-7-12-8-9-5-3-4-6-10(9)11(12)13/h2-7H,8H2,1H3
InChIKeyXNLLYOZFCKHFNS-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one
CID 153337388
2-amino-3H-isoindol-1-one;prop-1-ene
CID 177026284
2-stannyl-3H-isoindol-1-one
CID 151195244
2-bromo-3H-isoindol-1-one
CID 86611253
2-[2-oxo-1-[(Z)-prop-1-enyl]azetidin-3-yl]isoindole-1,3-dione
CID 67725361
CID 167712207
CID 167712207
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915
2-[(E)-2-ethenylbut-2-enyl]-3H-isoindol-1-one
CID 142925288
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
2-propan-2-yloxy-3H-isoindol-1-one
CID 89303277
2-(aminomethyl)-3H-isoindol-1-one
CID 143012246
(3-oxo-1H-isoindol-2-yl)methyl acetate
CID 23274019

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enyl-3H-isoindol-1-one?
The IUPAC name of 2-prop-1-enyl-3H-isoindol-1-one (CID 172846777) is 2-prop-1-enyl-3H-isoindol-1-one.
What is the SMILES notation for 2-prop-1-enyl-3H-isoindol-1-one?
The canonical SMILES for 2-prop-1-enyl-3H-isoindol-1-one is CC=CN1Cc2ccccc2C1=O.
What is the InChIKey of 2-prop-1-enyl-3H-isoindol-1-one?
The InChIKey is XNLLYOZFCKHFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-7-12-8-9-5-3-4-6-10(9)11(12)13/h2-7H,8H2,1H3.
What are the key properties of 2-prop-1-enyl-3H-isoindol-1-one?
2-prop-1-enyl-3H-isoindol-1-one has a molecular weight of 173.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enyl-3H-isoindol-1-one is sourced from PubChem (CID 172846777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).