1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol

C12H21NO2 — CID 142468418

IUPAC1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol
SMILESCCC/C=C\C=C(/NOC)C1(O)CCC1
InChIInChI=1S/C12H21NO2/c1-3-4-5-6-8-11(13-15-2)12(14)9-7-10-12/h5-6,8,13-14H,3-4,7,9-10H2,1-2H3/b6-5-,11-8-
InChIKeyBLCAFMBXXJEQAF-VRULOHATSA-N
MW211.30 g/mol
LogP2.29
Rot. Bonds6

About 1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol

1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol (PubChem CID 142468418) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol
PubChem CID142468418
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol
SMILESCCC/C=C\C=C(/NOC)C1(O)CCC1
InChIInChI=1S/C12H21NO2/c1-3-4-5-6-8-11(13-15-2)12(14)9-7-10-12/h5-6,8,13-14H,3-4,7,9-10H2,1-2H3/b6-5-,11-8-
InChIKeyBLCAFMBXXJEQAF-VRULOHATSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol?
The IUPAC name of 1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol (CID 142468418) is 1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol is CCC/C=C\C=C(/NOC)C1(O)CCC1.
What is the InChIKey of 1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol?
The InChIKey is BLCAFMBXXJEQAF-VRULOHATSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-5-6-8-11(13-15-2)12(14)9-7-10-12/h5-6,8,13-14H,3-4,7,9-10H2,1-2H3/b6-5-,11-8-.
What are the key properties of 1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol?
1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol has a molecular weight of 211.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,3Z)-1-(methoxyamino)hepta-1,3-dienyl]cyclobutan-1-ol is sourced from PubChem (CID 142468418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).