4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one

C10H16N2O2 — CID 129065303

IUPAC4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one
SMILESNC1C=CC(N2CCOCC2=O)CC1
InChIInChI=1S/C10H16N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1,3,8-9H,2,4-7,11H2
InChIKeyCDIPCUWTNBHQQX-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.11
Rot. Bonds1

About 4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one

4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one (PubChem CID 129065303) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one
PubChem CID129065303
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one
SMILESNC1C=CC(N2CCOCC2=O)CC1
InChIInChI=1S/C10H16N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1,3,8-9H,2,4-7,11H2
InChIKeyCDIPCUWTNBHQQX-UHFFFAOYSA-N
XLogP-0.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one?
The IUPAC name of 4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one (CID 129065303) is 4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one.
What is the SMILES notation for 4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one?
The canonical SMILES for 4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one is NC1C=CC(N2CCOCC2=O)CC1.
What is the InChIKey of 4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one?
The InChIKey is CDIPCUWTNBHQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1,3,8-9H,2,4-7,11H2.
What are the key properties of 4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one?
4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one has a molecular weight of 196.25 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohex-2-en-1-yl)morpholin-3-one is sourced from PubChem (CID 129065303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).