[3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate

C15H21NO3 — CID 90424699

IUPAC[3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate
SMILESCCCCC/C=C\CCc1cccnc1OC(=O)O
InChIInChI=1S/C15H21NO3/c1-2-3-4-5-6-7-8-10-13-11-9-12-16-14(13)19-15(17)18/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,17,18)/b7-6-
InChIKeyIRACBVXZHXINPT-SREVYHEPSA-N
MW263.34 g/mol
LogP4.21
Rot. Bonds8

About [3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate

[3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate (PubChem CID 90424699) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate
PubChem CID90424699
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate
SMILESCCCCC/C=C\CCc1cccnc1OC(=O)O
InChIInChI=1S/C15H21NO3/c1-2-3-4-5-6-7-8-10-13-11-9-12-16-14(13)19-15(17)18/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,17,18)/b7-6-
InChIKeyIRACBVXZHXINPT-SREVYHEPSA-N
XLogP4.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-cyclohexylbutyl)-2-pyridinyl] hydrogen carbonate
CID 90425040
[3-(3-aminopropyl)-2-pyridinyl] acetate
CID 174988941
3-[(Z)-undec-2-enyl]-2-[[3-[(Z)-undec-2-enyl]-2-pyridinyl]sulfanyl]pyridine
CID 70452301
3-ethyl-2-octadec-9-enoxybenzoic acid
CID 70303755
(2-pentylphenyl) hydrogen carbonate
CID 66866102
bis[3-[(4-propylphenyl)methyl]-2-pyridinyl] carbonate
CID 90425314
2-dodecyl-3-ethylpyridine
CID 160514040
2-pyridin-2-yloctadec-9-enoic acid
CID 67887728
1-[(E)-heptadec-3-enyl]naphthalene
CID 101307582
1-[(E)-docos-3-enyl]naphthalene
CID 101307762
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
phenyl heptadec-3-enoate
CID 54292851

Frequently Asked Questions

What is the IUPAC name of [3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate (CID 90424699) is [3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate is CCCCC/C=C\CCc1cccnc1OC(=O)O.
What is the InChIKey of [3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate?
The InChIKey is IRACBVXZHXINPT-SREVYHEPSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-4-5-6-7-8-10-13-11-9-12-16-14(13)19-15(17)18/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,17,18)/b7-6-.
What are the key properties of [3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate?
[3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate has a molecular weight of 263.34 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z)-non-3-enyl]-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 90424699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).