1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione

C9H14N2O2 — CID 77073664

IUPAC1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(CC2CC2)C(=O)NC1=O
InChIInChI=1S/C9H14N2O2/c1-6-4-11(5-7-2-3-7)9(13)10-8(6)12/h6-7H,2-5H2,1H3,(H,10,12,13)
InChIKeyKZOFTPKKOHAPJY-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.58
Rot. Bonds2

About 1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione

1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 77073664) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID77073664
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(CC2CC2)C(=O)NC1=O
InChIInChI=1S/C9H14N2O2/c1-6-4-11(5-7-2-3-7)9(13)10-8(6)12/h6-7H,2-5H2,1H3,(H,10,12,13)
InChIKeyKZOFTPKKOHAPJY-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione (CID 77073664) is 1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione is CC1CN(CC2CC2)C(=O)NC1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is KZOFTPKKOHAPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-4-11(5-7-2-3-7)9(13)10-8(6)12/h6-7H,2-5H2,1H3,(H,10,12,13).
What are the key properties of 1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione?
1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77073664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).