CID 102329939

C10H16NO2 — CID 102329939

IUPAC—
SMILESC=CCC[C@H]([N]CC=C)C(=O)OC
InChIInChI=1S/C10H16NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h4-5,9H,1-2,6-8H2,3H3/t9-/m0/s1
InChIKeyZAXXESJOWLYFDW-VIFPVBQESA-N
MW182.24 g/mol
LogP1.28
Rot. Bonds7

About CID 102329939

CID 102329939 (PubChem CID 102329939) has the molecular formula C10H16NO2 and a molecular weight of 182.24 g/mol.

Molecular Properties

Compound NameCID 102329939
PubChem CID102329939
Molecular FormulaC10H16NO2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name—
SMILESC=CCC[C@H]([N]CC=C)C(=O)OC
InChIInChI=1S/C10H16NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h4-5,9H,1-2,6-8H2,3H3/t9-/m0/s1
InChIKeyZAXXESJOWLYFDW-VIFPVBQESA-N
XLogP1.28
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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methyl 3-methylhept-6-enoate
CID 19865945
ethyl 2-aminohex-5-enoate;hydrochloride
CID 162341778
methyl 2-cyanohept-6-enoate
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ethyl (3R)-2,3-dihydroxyhept-6-enoate
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Frequently Asked Questions

What is the IUPAC name of CID 102329939?
The IUPAC name of CID 102329939 (CID 102329939) is not available.
What is the SMILES notation for CID 102329939?
The canonical SMILES for CID 102329939 is C=CCC[C@H]([N]CC=C)C(=O)OC.
What is the InChIKey of CID 102329939?
The InChIKey is ZAXXESJOWLYFDW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h4-5,9H,1-2,6-8H2,3H3/t9-/m0/s1.
What are the key properties of CID 102329939?
CID 102329939 has a molecular weight of 182.24 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102329939 is sourced from PubChem (CID 102329939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).