[(E)-cycloheptylmethylideneamino] acetate

C10H17NO2 — CID 87078684

IUPAC[(E)-cycloheptylmethylideneamino] acetate
SMILESCC(=O)O/N=C/C1CCCCCC1
InChIInChI=1S/C10H17NO2/c1-9(12)13-11-8-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3/b11-8+
InChIKeyZFVJBSQTLAHICZ-DHZHZOJOSA-N
MW183.25 g/mol
LogP2.51
Rot. Bonds2

About [(E)-cycloheptylmethylideneamino] acetate

[(E)-cycloheptylmethylideneamino] acetate (PubChem CID 87078684) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(E)-cycloheptylmethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-cycloheptylmethylideneamino] acetate
PubChem CID87078684
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(E)-cycloheptylmethylideneamino] acetate
SMILESCC(=O)O/N=C/C1CCCCCC1
InChIInChI=1S/C10H17NO2/c1-9(12)13-11-8-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3/b11-8+
InChIKeyZFVJBSQTLAHICZ-DHZHZOJOSA-N
XLogP2.51
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-cycloheptylmethylideneamino] acetate?
The IUPAC name of [(E)-cycloheptylmethylideneamino] acetate (CID 87078684) is [(E)-cycloheptylmethylideneamino] acetate.
What is the SMILES notation for [(E)-cycloheptylmethylideneamino] acetate?
The canonical SMILES for [(E)-cycloheptylmethylideneamino] acetate is CC(=O)O/N=C/C1CCCCCC1.
What is the InChIKey of [(E)-cycloheptylmethylideneamino] acetate?
The InChIKey is ZFVJBSQTLAHICZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(12)13-11-8-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3/b11-8+.
What are the key properties of [(E)-cycloheptylmethylideneamino] acetate?
[(E)-cycloheptylmethylideneamino] acetate has a molecular weight of 183.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-cycloheptylmethylideneamino] acetate is sourced from PubChem (CID 87078684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).