2-propan-2-yl-4aH-quinolin-4-one

C12H13NO — CID 74887308

IUPAC2-propan-2-yl-4aH-quinolin-4-one
SMILESCC(C)C1=CC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C12H13NO/c1-8(2)11-7-12(14)9-5-3-4-6-10(9)13-11/h3-9H,1-2H3
InChIKeyVHRUGEAGFJJSPP-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.29
Rot. Bonds1

About 2-propan-2-yl-4aH-quinolin-4-one

2-propan-2-yl-4aH-quinolin-4-one (PubChem CID 74887308) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-propan-2-yl-4aH-quinolin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-4aH-quinolin-4-one
PubChem CID74887308
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-propan-2-yl-4aH-quinolin-4-one
SMILESCC(C)C1=CC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C12H13NO/c1-8(2)11-7-12(14)9-5-3-4-6-10(9)13-11/h3-9H,1-2H3
InChIKeyVHRUGEAGFJJSPP-UHFFFAOYSA-N
XLogP2.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4aH-quinolin-4-one?
The IUPAC name of 2-propan-2-yl-4aH-quinolin-4-one (CID 74887308) is 2-propan-2-yl-4aH-quinolin-4-one.
What is the SMILES notation for 2-propan-2-yl-4aH-quinolin-4-one?
The canonical SMILES for 2-propan-2-yl-4aH-quinolin-4-one is CC(C)C1=CC(=O)C2C=CC=CC2=N1.
What is the InChIKey of 2-propan-2-yl-4aH-quinolin-4-one?
The InChIKey is VHRUGEAGFJJSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8(2)11-7-12(14)9-5-3-4-6-10(9)13-11/h3-9H,1-2H3.
What are the key properties of 2-propan-2-yl-4aH-quinolin-4-one?
2-propan-2-yl-4aH-quinolin-4-one has a molecular weight of 187.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4aH-quinolin-4-one is sourced from PubChem (CID 74887308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).