3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione

C12H18N2O2 — CID 82002901

IUPAC3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione
SMILESO=C1CC(C2CC2)NC(=O)N1C1CCCC1
InChIInChI=1S/C12H18N2O2/c15-11-7-10(8-5-6-8)13-12(16)14(11)9-3-1-2-4-9/h8-10H,1-7H2,(H,13,16)
InChIKeyRKUBOADCFBXNAE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.65
Rot. Bonds2

About 3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione

3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione (PubChem CID 82002901) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione
PubChem CID82002901
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione
SMILESO=C1CC(C2CC2)NC(=O)N1C1CCCC1
InChIInChI=1S/C12H18N2O2/c15-11-7-10(8-5-6-8)13-12(16)14(11)9-3-1-2-4-9/h8-10H,1-7H2,(H,13,16)
InChIKeyRKUBOADCFBXNAE-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione (CID 82002901) is 3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione is O=C1CC(C2CC2)NC(=O)N1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione?
The InChIKey is RKUBOADCFBXNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11-7-10(8-5-6-8)13-12(16)14(11)9-3-1-2-4-9/h8-10H,1-7H2,(H,13,16).
What are the key properties of 3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione?
3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-cyclopropyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 82002901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).