CID 59070076

C8H15NO — CID 59070076

IUPAC—
SMILES[CH][C@H](C=O)CCCNCC
InChIInChI=1S/C8H15NO/c1-3-9-6-4-5-8(2)7-10/h2,7-9H,3-6H2,1H3/t8-/m0/s1
InChIKeyNCROXVJDOMIMIH-QMMMGPOBSA-N
MW141.21 g/mol
LogP0.90
Rot. Bonds6

About CID 59070076

CID 59070076 (PubChem CID 59070076) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol.

Molecular Properties

Compound NameCID 59070076
PubChem CID59070076
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name—
SMILES[CH][C@H](C=O)CCCNCC
InChIInChI=1S/C8H15NO/c1-3-9-6-4-5-8(2)7-10/h2,7-9H,3-6H2,1H3/t8-/m0/s1
InChIKeyNCROXVJDOMIMIH-QMMMGPOBSA-N
XLogP0.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59070076?
The IUPAC name of CID 59070076 (CID 59070076) is not available.
What is the SMILES notation for CID 59070076?
The canonical SMILES for CID 59070076 is [CH][C@H](C=O)CCCNCC.
What is the InChIKey of CID 59070076?
The InChIKey is NCROXVJDOMIMIH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-9-6-4-5-8(2)7-10/h2,7-9H,3-6H2,1H3/t8-/m0/s1.
What are the key properties of CID 59070076?
CID 59070076 has a molecular weight of 141.21 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59070076 is sourced from PubChem (CID 59070076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).