(3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione

C12H19NO3 — CID 6709784

IUPAC(3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
SMILESC[C@@H]1COC(=O)[C@H](C)CC=CCCC(=O)N1
InChIInChI=1S/C12H19NO3/c1-9-6-4-3-5-7-11(14)13-10(2)8-16-12(9)15/h3-4,9-10H,5-8H2,1-2H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyWQOVNBRZJJCJEW-NXEZZACHSA-N
MW225.29 g/mol
LogP1.41
Rot. Bonds

About (3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione

(3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione (PubChem CID 6709784) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione.

Molecular Properties

Compound Name(3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
PubChem CID6709784
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
SMILESC[C@@H]1COC(=O)[C@H](C)CC=CCCC(=O)N1
InChIInChI=1S/C12H19NO3/c1-9-6-4-3-5-7-11(14)13-10(2)8-16-12(9)15/h3-4,9-10H,5-8H2,1-2H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyWQOVNBRZJJCJEW-NXEZZACHSA-N
XLogP1.41
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 ≤ 51.41
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 (3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
The IUPAC name of (3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione (CID 6709784) is (3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione.
What is the SMILES notation for (3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
The canonical SMILES for (3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione is C[C@@H]1COC(=O)[C@H](C)CC=CCCC(=O)N1.
What is the InChIKey of (3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
The InChIKey is WQOVNBRZJJCJEW-NXEZZACHSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-6-4-3-5-7-11(14)13-10(2)8-16-12(9)15/h3-4,9-10H,5-8H2,1-2H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione?
(3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione has a molecular weight of 225.29 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,11R)-3,11-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione is sourced from PubChem (CID 6709784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).