N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide

C9H16N2O2 — CID 126605000

IUPACN-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide
SMILESCOC(/C=C(/C)NC=O)=C(/C)CN
InChIInChI=1S/C9H16N2O2/c1-7(5-10)9(13-3)4-8(2)11-6-12/h4,6H,5,10H2,1-3H3,(H,11,12)/b8-4-,9-7-
InChIKeyWHMXCLKRJFSYPF-CKCLTMHVSA-N
MW184.24 g/mol
LogP0.52
Rot. Bonds5

About N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide

N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide (PubChem CID 126605000) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide
PubChem CID126605000
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide
SMILESCOC(/C=C(/C)NC=O)=C(/C)CN
InChIInChI=1S/C9H16N2O2/c1-7(5-10)9(13-3)4-8(2)11-6-12/h4,6H,5,10H2,1-3H3,(H,11,12)/b8-4-,9-7-
InChIKeyWHMXCLKRJFSYPF-CKCLTMHVSA-N
XLogP0.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide?
The IUPAC name of N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide (CID 126605000) is N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide.
What is the SMILES notation for N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide?
The canonical SMILES for N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide is COC(/C=C(/C)NC=O)=C(/C)CN.
What is the InChIKey of N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide?
The InChIKey is WHMXCLKRJFSYPF-CKCLTMHVSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(5-10)9(13-3)4-8(2)11-6-12/h4,6H,5,10H2,1-3H3,(H,11,12)/b8-4-,9-7-.
What are the key properties of N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide?
N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide has a molecular weight of 184.24 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide is sourced from PubChem (CID 126605000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).