[(2Z)-cyclooct-2-en-1-yl]oxymethanamine

C9H17NO — CID 156530937

IUPAC[(2Z)-cyclooct-2-en-1-yl]oxymethanamine
SMILESNCOC1/C=C\CCCCC1
InChIInChI=1S/C9H17NO/c10-8-11-9-6-4-2-1-3-5-7-9/h4,6,9H,1-3,5,7-8,10H2/b6-4-
InChIKeyRCFDNAQOVUQDPN-XQRVVYSFSA-N
MW155.24 g/mol
LogP1.81
Rot. Bonds2

About [(2Z)-cyclooct-2-en-1-yl]oxymethanamine

[(2Z)-cyclooct-2-en-1-yl]oxymethanamine (PubChem CID 156530937) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(2Z)-cyclooct-2-en-1-yl]oxymethanamine.

Molecular Properties

Compound Name[(2Z)-cyclooct-2-en-1-yl]oxymethanamine
PubChem CID156530937
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(2Z)-cyclooct-2-en-1-yl]oxymethanamine
SMILESNCOC1/C=C\CCCCC1
InChIInChI=1S/C9H17NO/c10-8-11-9-6-4-2-1-3-5-7-9/h4,6,9H,1-3,5,7-8,10H2/b6-4-
InChIKeyRCFDNAQOVUQDPN-XQRVVYSFSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-cyclooct-2-en-1-yl]oxymethanamine?
The IUPAC name of [(2Z)-cyclooct-2-en-1-yl]oxymethanamine (CID 156530937) is [(2Z)-cyclooct-2-en-1-yl]oxymethanamine.
What is the SMILES notation for [(2Z)-cyclooct-2-en-1-yl]oxymethanamine?
The canonical SMILES for [(2Z)-cyclooct-2-en-1-yl]oxymethanamine is NCOC1/C=C\CCCCC1.
What is the InChIKey of [(2Z)-cyclooct-2-en-1-yl]oxymethanamine?
The InChIKey is RCFDNAQOVUQDPN-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H17NO/c10-8-11-9-6-4-2-1-3-5-7-9/h4,6,9H,1-3,5,7-8,10H2/b6-4-.
What are the key properties of [(2Z)-cyclooct-2-en-1-yl]oxymethanamine?
[(2Z)-cyclooct-2-en-1-yl]oxymethanamine has a molecular weight of 155.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-cyclooct-2-en-1-yl]oxymethanamine is sourced from PubChem (CID 156530937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).