3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione

C11H16N2O2 — CID 64817600

IUPAC3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
SMILESO=C1NC2CCCCC2C(=O)N1C1CC1
InChIInChI=1S/C11H16N2O2/c14-10-8-3-1-2-4-9(8)12-11(15)13(10)7-5-6-7/h7-9H,1-6H2,(H,12,15)
InChIKeyQYFCSDPJDSHTNC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.26
Rot. Bonds1

About 3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione

3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione (PubChem CID 64817600) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
PubChem CID64817600
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
SMILESO=C1NC2CCCCC2C(=O)N1C1CC1
InChIInChI=1S/C11H16N2O2/c14-10-8-3-1-2-4-9(8)12-11(15)13(10)7-5-6-7/h7-9H,1-6H2,(H,12,15)
InChIKeyQYFCSDPJDSHTNC-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione?
The IUPAC name of 3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione (CID 64817600) is 3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione is O=C1NC2CCCCC2C(=O)N1C1CC1.
What is the InChIKey of 3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione?
The InChIKey is QYFCSDPJDSHTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-8-3-1-2-4-9(8)12-11(15)13(10)7-5-6-7/h7-9H,1-6H2,(H,12,15).
What are the key properties of 3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione?
3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 64817600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).