4-(cyclopropylmethyl)morpholine-2,6-dione

C8H11NO3 — CID 63778853

IUPAC4-(cyclopropylmethyl)morpholine-2,6-dione
SMILESO=C1CN(CC2CC2)CC(=O)O1
InChIInChI=1S/C8H11NO3/c10-7-4-9(3-6-1-2-6)5-8(11)12-7/h6H,1-5H2
InChIKeyNIGULAUMKQPWPZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.22
Rot. Bonds2

About 4-(cyclopropylmethyl)morpholine-2,6-dione

4-(cyclopropylmethyl)morpholine-2,6-dione (PubChem CID 63778853) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(cyclopropylmethyl)morpholine-2,6-dione
PubChem CID63778853
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-(cyclopropylmethyl)morpholine-2,6-dione
SMILESO=C1CN(CC2CC2)CC(=O)O1
InChIInChI=1S/C8H11NO3/c10-7-4-9(3-6-1-2-6)5-8(11)12-7/h6H,1-5H2
InChIKeyNIGULAUMKQPWPZ-UHFFFAOYSA-N
XLogP-0.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)morpholine-2,6-dione?
The IUPAC name of 4-(cyclopropylmethyl)morpholine-2,6-dione (CID 63778853) is 4-(cyclopropylmethyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(cyclopropylmethyl)morpholine-2,6-dione?
The canonical SMILES for 4-(cyclopropylmethyl)morpholine-2,6-dione is O=C1CN(CC2CC2)CC(=O)O1.
What is the InChIKey of 4-(cyclopropylmethyl)morpholine-2,6-dione?
The InChIKey is NIGULAUMKQPWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-7-4-9(3-6-1-2-6)5-8(11)12-7/h6H,1-5H2.
What are the key properties of 4-(cyclopropylmethyl)morpholine-2,6-dione?
4-(cyclopropylmethyl)morpholine-2,6-dione has a molecular weight of 169.18 g/mol, XLogP of -0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)morpholine-2,6-dione is sourced from PubChem (CID 63778853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).