N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine

C10H12N2O — CID 163538090

IUPACN-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine
SMILESC=C1COc2c(NC)cccc2N1
InChIInChI=1S/C10H12N2O/c1-7-6-13-10-8(11-2)4-3-5-9(10)12-7/h3-5,11-12H,1,6H2,2H3
InChIKeyDYSKCBXWYURIRH-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.05
Rot. Bonds1

About N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine

N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine (PubChem CID 163538090) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine
PubChem CID163538090
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine
SMILESC=C1COc2c(NC)cccc2N1
InChIInChI=1S/C10H12N2O/c1-7-6-13-10-8(11-2)4-3-5-9(10)12-7/h3-5,11-12H,1,6H2,2H3
InChIKeyDYSKCBXWYURIRH-UHFFFAOYSA-N
XLogP2.05
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine?
The IUPAC name of N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine (CID 163538090) is N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine.
What is the SMILES notation for N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine?
The canonical SMILES for N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine is C=C1COc2c(NC)cccc2N1.
What is the InChIKey of N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine?
The InChIKey is DYSKCBXWYURIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-6-13-10-8(11-2)4-3-5-9(10)12-7/h3-5,11-12H,1,6H2,2H3.
What are the key properties of N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine?
N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine has a molecular weight of 176.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-4H-1,4-benzoxazin-8-amine is sourced from PubChem (CID 163538090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).