(8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione

C12H19NO3 — CID 101001577

IUPAC(8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
SMILESCC1(C)CNC(=O)CC/C=C\CCC(=O)O1
InChIInChI=1S/C12H19NO3/c1-12(2)9-13-10(14)7-5-3-4-6-8-11(15)16-12/h3-4H,5-9H2,1-2H3,(H,13,14)/b4-3-
InChIKeyXRDWUTBREVRRSB-ARJAWSKDSA-N
MW225.29 g/mol
LogP1.55
Rot. Bonds

About (8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione

(8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione (PubChem CID 101001577) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione.

Molecular Properties

Compound Name(8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
PubChem CID101001577
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
SMILESCC1(C)CNC(=O)CC/C=C\CCC(=O)O1
InChIInChI=1S/C12H19NO3/c1-12(2)9-13-10(14)7-5-3-4-6-8-11(15)16-12/h3-4H,5-9H2,1-2H3,(H,13,14)/b4-3-
InChIKeyXRDWUTBREVRRSB-ARJAWSKDSA-N
XLogP1.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.55
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 (8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
The IUPAC name of (8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione (CID 101001577) is (8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione.
What is the SMILES notation for (8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
The canonical SMILES for (8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione is CC1(C)CNC(=O)CC/C=C\CCC(=O)O1.
What is the InChIKey of (8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
The InChIKey is XRDWUTBREVRRSB-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2)9-13-10(14)7-5-3-4-6-8-11(15)16-12/h3-4H,5-9H2,1-2H3,(H,13,14)/b4-3-.
What are the key properties of (8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
(8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione has a molecular weight of 225.29 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-2,2-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione is sourced from PubChem (CID 101001577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).