CID 101012974

C10H22NO — CID 101012974

IUPAC—
SMILESCCC(C)(C)N([O])C(C)(C)CC
InChIInChI=1S/C10H22NO/c1-7-9(3,4)11(12)10(5,6)8-2/h7-8H2,1-6H3
InChIKeyHHKXDVWEGYJGMK-UHFFFAOYSA-N
MW172.29 g/mol
LogP3.01
Rot. Bonds4

About CID 101012974

CID 101012974 (PubChem CID 101012974) has the molecular formula C10H22NO and a molecular weight of 172.29 g/mol.

Molecular Properties

Compound NameCID 101012974
PubChem CID101012974
Molecular FormulaC10H22NO
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Name—
SMILESCCC(C)(C)N([O])C(C)(C)CC
InChIInChI=1S/C10H22NO/c1-7-9(3,4)11(12)10(5,6)8-2/h7-8H2,1-6H3
InChIKeyHHKXDVWEGYJGMK-UHFFFAOYSA-N
XLogP3.01
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101012974?
The IUPAC name of CID 101012974 (CID 101012974) is not available.
What is the SMILES notation for CID 101012974?
The canonical SMILES for CID 101012974 is CCC(C)(C)N([O])C(C)(C)CC.
What is the InChIKey of CID 101012974?
The InChIKey is HHKXDVWEGYJGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO/c1-7-9(3,4)11(12)10(5,6)8-2/h7-8H2,1-6H3.
What are the key properties of CID 101012974?
CID 101012974 has a molecular weight of 172.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101012974 is sourced from PubChem (CID 101012974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).