molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane

C8H17NO — CID 170734613

IUPACmolecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane
SMILESC=C(C)[C@@H]1CNCCCO1.[H][H]
InChIInChI=1S/C8H15NO.H2/c1-7(2)8-6-9-4-3-5-10-8;/h8-9H,1,3-6H2,2H3;1H/t8-;/m0./s1
InChIKeyUKADAOJNFVKDBX-QRPNPIFTSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds1

About molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane

molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane (PubChem CID 170734613) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane.

Molecular Properties

Compound Namemolecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane
PubChem CID170734613
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namemolecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane
SMILESC=C(C)[C@@H]1CNCCCO1.[H][H]
InChIInChI=1S/C8H15NO.H2/c1-7(2)8-6-9-4-3-5-10-8;/h8-9H,1,3-6H2,2H3;1H/t8-;/m0./s1
InChIKeyUKADAOJNFVKDBX-QRPNPIFTSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane?
The IUPAC name of molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane (CID 170734613) is molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane.
What is the SMILES notation for molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane?
The canonical SMILES for molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane is C=C(C)[C@@H]1CNCCCO1.[H][H].
What is the InChIKey of molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane?
The InChIKey is UKADAOJNFVKDBX-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H15NO.H2/c1-7(2)8-6-9-4-3-5-10-8;/h8-9H,1,3-6H2,2H3;1H/t8-;/m0./s1.
What are the key properties of molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane?
molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane has a molecular weight of 143.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(2R)-2-prop-1-en-2-yl-1,4-oxazepane is sourced from PubChem (CID 170734613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).