N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine

C8H13NO — CID 142817830

IUPACN-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine
SMILESC=C(/C=C\C=C/C)N(C)O
InChIInChI=1S/C8H13NO/c1-4-5-6-7-8(2)9(3)10/h4-7,10H,2H2,1,3H3/b5-4-,7-6-
InChIKeyIHPKUCVCGTVNLZ-RZSVFLSASA-N
MW139.20 g/mol
LogP1.95
Rot. Bonds3

About N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine

N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine (PubChem CID 142817830) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine
PubChem CID142817830
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine
SMILESC=C(/C=C\C=C/C)N(C)O
InChIInChI=1S/C8H13NO/c1-4-5-6-7-8(2)9(3)10/h4-7,10H,2H2,1,3H3/b5-4-,7-6-
InChIKeyIHPKUCVCGTVNLZ-RZSVFLSASA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine?
The IUPAC name of N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine (CID 142817830) is N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine?
The canonical SMILES for N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine is C=C(/C=C\C=C/C)N(C)O.
What is the InChIKey of N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine?
The InChIKey is IHPKUCVCGTVNLZ-RZSVFLSASA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-6-7-8(2)9(3)10/h4-7,10H,2H2,1,3H3/b5-4-,7-6-.
What are the key properties of N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine?
N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine has a molecular weight of 139.20 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine is sourced from PubChem (CID 142817830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).