7-methyl-3-[(2S)-2-methylbutyl]oxazepine

C11H17NO — CID 143219948

IUPAC7-methyl-3-[(2S)-2-methylbutyl]oxazepine
SMILESCC[C@H](C)CC1=NOC(C)=CC=C1
InChIInChI=1S/C11H17NO/c1-4-9(2)8-11-7-5-6-10(3)13-12-11/h5-7,9H,4,8H2,1-3H3/t9-/m0/s1
InChIKeyAYXOTRLPCCPSNN-VIFPVBQESA-N
MW179.26 g/mol
LogP3.27
Rot. Bonds3

About 7-methyl-3-[(2S)-2-methylbutyl]oxazepine

7-methyl-3-[(2S)-2-methylbutyl]oxazepine (PubChem CID 143219948) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 7-methyl-3-[(2S)-2-methylbutyl]oxazepine.

Molecular Properties

Compound Name7-methyl-3-[(2S)-2-methylbutyl]oxazepine
PubChem CID143219948
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name7-methyl-3-[(2S)-2-methylbutyl]oxazepine
SMILESCC[C@H](C)CC1=NOC(C)=CC=C1
InChIInChI=1S/C11H17NO/c1-4-9(2)8-11-7-5-6-10(3)13-12-11/h5-7,9H,4,8H2,1-3H3/t9-/m0/s1
InChIKeyAYXOTRLPCCPSNN-VIFPVBQESA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(2S)-2-methylbutyl]oxazepine?
The IUPAC name of 7-methyl-3-[(2S)-2-methylbutyl]oxazepine (CID 143219948) is 7-methyl-3-[(2S)-2-methylbutyl]oxazepine.
What is the SMILES notation for 7-methyl-3-[(2S)-2-methylbutyl]oxazepine?
The canonical SMILES for 7-methyl-3-[(2S)-2-methylbutyl]oxazepine is CC[C@H](C)CC1=NOC(C)=CC=C1.
What is the InChIKey of 7-methyl-3-[(2S)-2-methylbutyl]oxazepine?
The InChIKey is AYXOTRLPCCPSNN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO/c1-4-9(2)8-11-7-5-6-10(3)13-12-11/h5-7,9H,4,8H2,1-3H3/t9-/m0/s1.
What are the key properties of 7-methyl-3-[(2S)-2-methylbutyl]oxazepine?
7-methyl-3-[(2S)-2-methylbutyl]oxazepine has a molecular weight of 179.26 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(2S)-2-methylbutyl]oxazepine is sourced from PubChem (CID 143219948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).