3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one

C10H17NO2 — CID 101182543

IUPAC3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCCC/C=C/N1CCOC1=O
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-6-7-11-8-9-13-10(11)12/h6-7H,2-5,8-9H2,1H3/b7-6+
InChIKeyQIKYSTLNHKPVEC-VOTSOKGWSA-N
MW183.25 g/mol
LogP2.53
Rot. Bonds5

About 3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one

3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 101182543) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one
PubChem CID101182543
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one
SMILESCCCCC/C=C/N1CCOC1=O
InChIInChI=1S/C10H17NO2/c1-2-3-4-5-6-7-11-8-9-13-10(11)12/h6-7H,2-5,8-9H2,1H3/b7-6+
InChIKeyQIKYSTLNHKPVEC-VOTSOKGWSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one (CID 101182543) is 3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one is CCCCC/C=C/N1CCOC1=O.
What is the InChIKey of 3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is QIKYSTLNHKPVEC-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-5-6-7-11-8-9-13-10(11)12/h6-7H,2-5,8-9H2,1H3/b7-6+.
What are the key properties of 3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one?
3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hept-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101182543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).