(6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine

C14H13NO — CID 70499730

IUPAC(6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine
SMILESC1=C/C2=C/OC3C=CC=C/C3=C/NC2C=C1
InChIInChI=1S/C14H13NO/c1-3-7-13-12(6-1)10-16-14-8-4-2-5-11(14)9-15-13/h1-10,13-15H/b11-9-,12-10-
InChIKeyWLIBRHGVLQNVPK-HWAYABPNSA-N
MW211.26 g/mol
LogP2.36
Rot. Bonds

About (6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine

(6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine (PubChem CID 70499730) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is (6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine.

Molecular Properties

Compound Name(6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine
PubChem CID70499730
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name(6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine
SMILESC1=C/C2=C/OC3C=CC=C/C3=C/NC2C=C1
InChIInChI=1S/C14H13NO/c1-3-7-13-12(6-1)10-16-14-8-4-2-5-11(14)9-15-13/h1-10,13-15H/b11-9-,12-10-
InChIKeyWLIBRHGVLQNVPK-HWAYABPNSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine?
The IUPAC name of (6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine (CID 70499730) is (6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine.
What is the SMILES notation for (6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine?
The canonical SMILES for (6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine is C1=C/C2=C/OC3C=CC=C/C3=C/NC2C=C1.
What is the InChIKey of (6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine?
The InChIKey is WLIBRHGVLQNVPK-HWAYABPNSA-N. The full InChI is InChI=1S/C14H13NO/c1-3-7-13-12(6-1)10-16-14-8-4-2-5-11(14)9-15-13/h1-10,13-15H/b11-9-,12-10-.
What are the key properties of (6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine?
(6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine has a molecular weight of 211.26 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine is sourced from PubChem (CID 70499730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).