N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide

C12H10NO- — CID 59912272

IUPACN-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide
SMILES[CH-]=C=C=C=C=C=C(C=CC)NC(C)=O
InChIInChI=1S/C12H10NO/c1-4-6-7-8-10-12(9-5-2)13-11(3)14/h1,5,9H,2-3H3,(H,13,14)/q-1
InChIKeyRZXKXDLTPXQZQV-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.79
Rot. Bonds2

About N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide

N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide (PubChem CID 59912272) has the molecular formula C12H10NO- and a molecular weight of 184.22 g/mol. Its IUPAC name is N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide.

Molecular Properties

Compound NameN-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide
PubChem CID59912272
Molecular FormulaC12H10NO-
Molecular Weight184.22 g/mol
Exact Mass184.08
IUPAC NameN-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide
SMILES[CH-]=C=C=C=C=C=C(C=CC)NC(C)=O
InChIInChI=1S/C12H10NO/c1-4-6-7-8-10-12(9-5-2)13-11(3)14/h1,5,9H,2-3H3,(H,13,14)/q-1
InChIKeyRZXKXDLTPXQZQV-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide?
The IUPAC name of N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide (CID 59912272) is N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide.
What is the SMILES notation for N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide?
The canonical SMILES for N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide is [CH-]=C=C=C=C=C=C(C=CC)NC(C)=O.
What is the InChIKey of N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide?
The InChIKey is RZXKXDLTPXQZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10NO/c1-4-6-7-8-10-12(9-5-2)13-11(3)14/h1,5,9H,2-3H3,(H,13,14)/q-1.
What are the key properties of N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide?
N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide has a molecular weight of 184.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide is sourced from PubChem (CID 59912272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).