CID 59347758

C7H13NO — CID 59347758

IUPAC—
SMILES[CH]CN1CCC(O)CC1
InChIInChI=1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h1,7,9H,2-6H2
InChIKeyBLZURJNSCFSWGD-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.15
Rot. Bonds1

About CID 59347758

CID 59347758 (PubChem CID 59347758) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol.

Molecular Properties

Compound NameCID 59347758
PubChem CID59347758
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name—
SMILES[CH]CN1CCC(O)CC1
InChIInChI=1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h1,7,9H,2-6H2
InChIKeyBLZURJNSCFSWGD-UHFFFAOYSA-N
XLogP0.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59347758?
The IUPAC name of CID 59347758 (CID 59347758) is not available.
What is the SMILES notation for CID 59347758?
The canonical SMILES for CID 59347758 is [CH]CN1CCC(O)CC1.
What is the InChIKey of CID 59347758?
The InChIKey is BLZURJNSCFSWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h1,7,9H,2-6H2.
What are the key properties of CID 59347758?
CID 59347758 has a molecular weight of 127.19 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59347758 is sourced from PubChem (CID 59347758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).