14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane

C17H30ClNO — CID 138750341

IUPAC14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane
SMILESC=C1CCOCCCCCC2CC(Cl)CCCC2N1C
InChIInChI=1S/C17H30ClNO/c1-14-10-12-20-11-5-3-4-7-15-13-16(18)8-6-9-17(15)19(14)2/h15-17H,1,3-13H2,2H3
InChIKeyNRLXSCRQIOYQEB-UHFFFAOYSA-N
MW299.89 g/mol
LogP4.58
Rot. Bonds

About 14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane

14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane (PubChem CID 138750341) has the molecular formula C17H30ClNO and a molecular weight of 299.89 g/mol. Its IUPAC name is 14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane.

Molecular Properties

Compound Name14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane
PubChem CID138750341
Molecular FormulaC17H30ClNO
Molecular Weight299.89 g/mol
Exact Mass299.20
IUPAC Name14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane
SMILESC=C1CCOCCCCCC2CC(Cl)CCCC2N1C
InChIInChI=1S/C17H30ClNO/c1-14-10-12-20-11-5-3-4-7-15-13-16(18)8-6-9-17(15)19(14)2/h15-17H,1,3-13H2,2H3
InChIKeyNRLXSCRQIOYQEB-UHFFFAOYSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.89
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane?
The IUPAC name of 14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane (CID 138750341) is 14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane.
What is the SMILES notation for 14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane?
The canonical SMILES for 14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane is C=C1CCOCCCCCC2CC(Cl)CCCC2N1C.
What is the InChIKey of 14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane?
The InChIKey is NRLXSCRQIOYQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClNO/c1-14-10-12-20-11-5-3-4-7-15-13-16(18)8-6-9-17(15)19(14)2/h15-17H,1,3-13H2,2H3.
What are the key properties of 14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane?
14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane has a molecular weight of 299.89 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-2-methyl-3-methylidene-6-oxa-2-azabicyclo[10.5.0]heptadecane is sourced from PubChem (CID 138750341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).