CID 59270503

C7H13NO — CID 59270503

IUPAC—
SMILES[CH]CNCC1CCCO1
InChIInChI=1S/C7H13NO/c1-2-8-6-7-4-3-5-9-7/h1,7-8H,2-6H2
InChIKeySFCFOKNHXOJHGE-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.47
Rot. Bonds3

About CID 59270503

CID 59270503 (PubChem CID 59270503) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol.

Molecular Properties

Compound NameCID 59270503
PubChem CID59270503
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name—
SMILES[CH]CNCC1CCCO1
InChIInChI=1S/C7H13NO/c1-2-8-6-7-4-3-5-9-7/h1,7-8H,2-6H2
InChIKeySFCFOKNHXOJHGE-UHFFFAOYSA-N
XLogP0.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59270503?
The IUPAC name of CID 59270503 (CID 59270503) is not available.
What is the SMILES notation for CID 59270503?
The canonical SMILES for CID 59270503 is [CH]CNCC1CCCO1.
What is the InChIKey of CID 59270503?
The InChIKey is SFCFOKNHXOJHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-8-6-7-4-3-5-9-7/h1,7-8H,2-6H2.
What are the key properties of CID 59270503?
CID 59270503 has a molecular weight of 127.19 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59270503 is sourced from PubChem (CID 59270503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).