1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione

C12H11NO3 — CID 11672969

IUPAC1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(CC2CC2)c2ccccc12
InChIInChI=1S/C12H11NO3/c14-11-9-3-1-2-4-10(9)13(12(15)16-11)7-8-5-6-8/h1-4,8H,5-7H2
InChIKeyCMVNCNXRMWPIOD-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.36
Rot. Bonds2

About 1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione

1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione (PubChem CID 11672969) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione
PubChem CID11672969
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(CC2CC2)c2ccccc12
InChIInChI=1S/C12H11NO3/c14-11-9-3-1-2-4-10(9)13(12(15)16-11)7-8-5-6-8/h1-4,8H,5-7H2
InChIKeyCMVNCNXRMWPIOD-UHFFFAOYSA-N
XLogP1.36
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione (CID 11672969) is 1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(CC2CC2)c2ccccc12.
What is the InChIKey of 1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione?
The InChIKey is CMVNCNXRMWPIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-11-9-3-1-2-4-10(9)13(12(15)16-11)7-8-5-6-8/h1-4,8H,5-7H2.
What are the key properties of 1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione?
1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione has a molecular weight of 217.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 11672969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).