CID 59070126

C10H15NO2 — CID 59070126

IUPAC—
SMILES[CH][C@H](C=O)CC(=O)N1CCCCC1
InChIInChI=1S/C10H15NO2/c1-9(8-12)7-10(13)11-5-3-2-4-6-11/h1,8-9H,2-7H2/t9-/m0/s1
InChIKeyVEEIRCHGMNUUDL-VIFPVBQESA-N
MW181.24 g/mol
LogP0.92
Rot. Bonds3

About CID 59070126

CID 59070126 (PubChem CID 59070126) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol.

Molecular Properties

Compound NameCID 59070126
PubChem CID59070126
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name—
SMILES[CH][C@H](C=O)CC(=O)N1CCCCC1
InChIInChI=1S/C10H15NO2/c1-9(8-12)7-10(13)11-5-3-2-4-6-11/h1,8-9H,2-7H2/t9-/m0/s1
InChIKeyVEEIRCHGMNUUDL-VIFPVBQESA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
CID 67330383
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone
CID 107899213
N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide
CID 89247006
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one
CID 165388208
3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 170295509
(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 42627584

Frequently Asked Questions

What is the IUPAC name of CID 59070126?
The IUPAC name of CID 59070126 (CID 59070126) is not available.
What is the SMILES notation for CID 59070126?
The canonical SMILES for CID 59070126 is [CH][C@H](C=O)CC(=O)N1CCCCC1.
What is the InChIKey of CID 59070126?
The InChIKey is VEEIRCHGMNUUDL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO2/c1-9(8-12)7-10(13)11-5-3-2-4-6-11/h1,8-9H,2-7H2/t9-/m0/s1.
What are the key properties of CID 59070126?
CID 59070126 has a molecular weight of 181.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59070126 is sourced from PubChem (CID 59070126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).