(4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine

C9H13NO — CID 163978337

IUPAC(4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CC/C(=C/OC)C=C1
InChIInChI=1S/C9H13NO/c1-10-9-5-3-8(4-6-9)7-11-2/h3,5-7,10H,4H2,1-2H3/b8-7+
InChIKeySWDHESYETREXKR-BQYQJAHWSA-N
MW151.21 g/mol
LogP1.58
Rot. Bonds2

About (4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine

(4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 163978337) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID163978337
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CC/C(=C/OC)C=C1
InChIInChI=1S/C9H13NO/c1-10-9-5-3-8(4-6-9)7-11-2/h3,5-7,10H,4H2,1-2H3/b8-7+
InChIKeySWDHESYETREXKR-BQYQJAHWSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of (4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine (CID 163978337) is (4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for (4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine is CNC1=CC/C(=C/OC)C=C1.
What is the InChIKey of (4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is SWDHESYETREXKR-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-9-5-3-8(4-6-9)7-11-2/h3,5-7,10H,4H2,1-2H3/b8-7+.
What are the key properties of (4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine?
(4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163978337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).