(1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine

C11H11ClN2O — CID 6536132

IUPAC(1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine
SMILESCN(C)/C=C1\Oc2ccccc2N=C1Cl
InChIInChI=1S/C11H11ClN2O/c1-14(2)7-10-11(12)13-8-5-3-4-6-9(8)15-10/h3-7H,1-2H3/b10-7-
InChIKeyAQUPIXZBNDANQY-YFHOEESVSA-N
MW222.68 g/mol
LogP2.75
Rot. Bonds1

About (1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine

(1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine (PubChem CID 6536132) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is (1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine
PubChem CID6536132
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name(1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine
SMILESCN(C)/C=C1\Oc2ccccc2N=C1Cl
InChIInChI=1S/C11H11ClN2O/c1-14(2)7-10-11(12)13-8-5-3-4-6-9(8)15-10/h3-7H,1-2H3/b10-7-
InChIKeyAQUPIXZBNDANQY-YFHOEESVSA-N
XLogP2.75
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine?
The IUPAC name of (1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine (CID 6536132) is (1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine.
What is the SMILES notation for (1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine?
The canonical SMILES for (1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine is CN(C)/C=C1\Oc2ccccc2N=C1Cl.
What is the InChIKey of (1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine?
The InChIKey is AQUPIXZBNDANQY-YFHOEESVSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14(2)7-10-11(12)13-8-5-3-4-6-9(8)15-10/h3-7H,1-2H3/b10-7-.
What are the key properties of (1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine?
(1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine has a molecular weight of 222.68 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(3-chloro-1,4-benzoxazin-2-ylidene)-N,N-dimethylmethanamine is sourced from PubChem (CID 6536132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).