8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one

C11H12N2O — CID 115017507

IUPAC8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one
SMILESCc1cccc2c1NC(=O)NC21CC1
InChIInChI=1S/C11H12N2O/c1-7-3-2-4-8-9(7)12-10(14)13-11(8)5-6-11/h2-4H,5-6H2,1H3,(H2,12,13,14)
InChIKeyNEWGJHOBNBRRIM-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.12
Rot. Bonds

About 8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one

8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one (PubChem CID 115017507) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one
PubChem CID115017507
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one
SMILESCc1cccc2c1NC(=O)NC21CC1
InChIInChI=1S/C11H12N2O/c1-7-3-2-4-8-9(7)12-10(14)13-11(8)5-6-11/h2-4H,5-6H2,1H3,(H2,12,13,14)
InChIKeyNEWGJHOBNBRRIM-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one?
The IUPAC name of 8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one (CID 115017507) is 8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one.
What is the SMILES notation for 8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one?
The canonical SMILES for 8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one is Cc1cccc2c1NC(=O)NC21CC1.
What is the InChIKey of 8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one?
The InChIKey is NEWGJHOBNBRRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-3-2-4-8-9(7)12-10(14)13-11(8)5-6-11/h2-4H,5-6H2,1H3,(H2,12,13,14).
What are the key properties of 8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one?
8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one is sourced from PubChem (CID 115017507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).