CID 76219072

C8H17NO — CID 76219072

IUPAC2-aminooct-4-en-1-ol
SMILESCCCC=CCC(CO)N
InChIInChI=1S/C8H17NO/c1-2-3-4-5-6-8(9)7-10/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyNQYMRPAYIXOQLW-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.00
Rot. Bonds5

About CID 76219072

CID 76219072 (PubChem CID 76219072) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-aminooct-4-en-1-ol.

Molecular Properties

Compound NameCID 76219072
PubChem CID76219072
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-aminooct-4-en-1-ol
SMILESCCCC=CCC(CO)N
InChIInChI=1S/C8H17NO/c1-2-3-4-5-6-8(9)7-10/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyNQYMRPAYIXOQLW-UHFFFAOYSA-N
XLogP1.00
TPSA46.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity91

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 76219072?
The IUPAC name of CID 76219072 (CID 76219072) is 2-aminooct-4-en-1-ol.
What is the SMILES notation for CID 76219072?
The canonical SMILES for CID 76219072 is CCCC=CCC(CO)N.
What is the InChIKey of CID 76219072?
The InChIKey is NQYMRPAYIXOQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-5-6-8(9)7-10/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of CID 76219072?
CID 76219072 has a molecular weight of 143.23 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 76219072 is sourced from PubChem (CID 76219072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).