2-methylidene-4-propan-2-yl-1,4-oxazepane

C9H17NO — CID 176594095

IUPAC2-methylidene-4-propan-2-yl-1,4-oxazepane
SMILESC=C1CN(C(C)C)CCCO1
InChIInChI=1S/C9H17NO/c1-8(2)10-5-4-6-11-9(3)7-10/h8H,3-7H2,1-2H3
InChIKeyPHLBMISQYVAPKU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds1

About 2-methylidene-4-propan-2-yl-1,4-oxazepane

2-methylidene-4-propan-2-yl-1,4-oxazepane (PubChem CID 176594095) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methylidene-4-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name2-methylidene-4-propan-2-yl-1,4-oxazepane
PubChem CID176594095
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methylidene-4-propan-2-yl-1,4-oxazepane
SMILESC=C1CN(C(C)C)CCCO1
InChIInChI=1S/C9H17NO/c1-8(2)10-5-4-6-11-9(3)7-10/h8H,3-7H2,1-2H3
InChIKeyPHLBMISQYVAPKU-UHFFFAOYSA-N
XLogP1.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
(2R)-2,4-di(propan-2-yl)-1,4-oxazepane
CID 176594247
ethene;1-propan-2-ylpiperidine
CID 177325228
ethane;1-propan-2-ylpyrrolidine
CID 167557798
ethane;2-methylideneoxolane
CID 90904497
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59897847
N-hydroxy-N-methyl-2-[(Z)-(4-propan-2-yl-1,4-diazepan-2-ylidene)methyl]prop-2-enamide
CID 169145813
formic acid;1-propan-2-ylpyrrolidine
CID 162750581
1-fluoro-4-propan-2-yl-1,4-diazepane
CID 155701545
N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-propan-2-yl-1,4-oxazepane?
The IUPAC name of 2-methylidene-4-propan-2-yl-1,4-oxazepane (CID 176594095) is 2-methylidene-4-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for 2-methylidene-4-propan-2-yl-1,4-oxazepane?
The canonical SMILES for 2-methylidene-4-propan-2-yl-1,4-oxazepane is C=C1CN(C(C)C)CCCO1.
What is the InChIKey of 2-methylidene-4-propan-2-yl-1,4-oxazepane?
The InChIKey is PHLBMISQYVAPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)10-5-4-6-11-9(3)7-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-methylidene-4-propan-2-yl-1,4-oxazepane?
2-methylidene-4-propan-2-yl-1,4-oxazepane has a molecular weight of 155.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 176594095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).