prop-2-enyl 7-aminoheptanoate

C10H19NO2 — CID 20742533

IUPACprop-2-enyl 7-aminoheptanoate
SMILESC=CCOC(=O)CCCCCCN
InChIInChI=1S/C10H19NO2/c1-2-9-13-10(12)7-5-3-4-6-8-11/h2H,1,3-9,11H2
InChIKeyCKYDCQHWEHZFBQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.62
Rot. Bonds8

About prop-2-enyl 7-aminoheptanoate

prop-2-enyl 7-aminoheptanoate (PubChem CID 20742533) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is prop-2-enyl 7-aminoheptanoate.

Molecular Properties

Compound Nameprop-2-enyl 7-aminoheptanoate
PubChem CID20742533
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameprop-2-enyl 7-aminoheptanoate
SMILESC=CCOC(=O)CCCCCCN
InChIInChI=1S/C10H19NO2/c1-2-9-13-10(12)7-5-3-4-6-8-11/h2H,1,3-9,11H2
InChIKeyCKYDCQHWEHZFBQ-UHFFFAOYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 7-aminoheptanoate?
The IUPAC name of prop-2-enyl 7-aminoheptanoate (CID 20742533) is prop-2-enyl 7-aminoheptanoate.
What is the SMILES notation for prop-2-enyl 7-aminoheptanoate?
The canonical SMILES for prop-2-enyl 7-aminoheptanoate is C=CCOC(=O)CCCCCCN.
What is the InChIKey of prop-2-enyl 7-aminoheptanoate?
The InChIKey is CKYDCQHWEHZFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-9-13-10(12)7-5-3-4-6-8-11/h2H,1,3-9,11H2.
What are the key properties of prop-2-enyl 7-aminoheptanoate?
prop-2-enyl 7-aminoheptanoate has a molecular weight of 185.27 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 7-aminoheptanoate is sourced from PubChem (CID 20742533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).