O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine

C11H19NO — CID 129140973

IUPACO-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine
SMILESC=CC(=C/C)/C(=C\ON)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-9(7-2)10(8-13-12)11(3,4)5/h6-8H,1,12H2,2-5H3/b9-7-,10-8+
InChIKeyVXDGUYBBPCRODI-FKJILZIQSA-N
MW181.28 g/mol
LogP2.94
Rot. Bonds3

About O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine

O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine (PubChem CID 129140973) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine
PubChem CID129140973
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameO-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine
SMILESC=CC(=C/C)/C(=C\ON)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-6-9(7-2)10(8-13-12)11(3,4)5/h6-8H,1,12H2,2-5H3/b9-7-,10-8+
InChIKeyVXDGUYBBPCRODI-FKJILZIQSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane
CID 143947867
O-[(E)-2,3,3-trimethylbut-1-enyl]hydroxylamine
CID 126587144
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine
CID 166818334
ethyl 2-ethenylbut-2-enoate
CID 123198246
(3E)-3-(methoxymethylidene)pent-4-en-2-one
CID 71507795
O-[(Z)-2-aminoprop-1-enyl]hydroxylamine
CID 144691333
[(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane
CID 167202874
(2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene
CID 145400080
(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine
CID 143763167
(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
CID 126553029

Frequently Asked Questions

What is the IUPAC name of O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine?
The IUPAC name of O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine (CID 129140973) is O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine.
What is the SMILES notation for O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine?
The canonical SMILES for O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine is C=CC(=C/C)/C(=C\ON)C(C)(C)C.
What is the InChIKey of O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine?
The InChIKey is VXDGUYBBPCRODI-FKJILZIQSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-9(7-2)10(8-13-12)11(3,4)5/h6-8H,1,12H2,2-5H3/b9-7-,10-8+.
What are the key properties of O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine?
O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine has a molecular weight of 181.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine is sourced from PubChem (CID 129140973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).