CID 58974204

C5H10BNO — CID 58974204

IUPAC—
SMILES[B]C(=O)CCN(C)C
InChIInChI=1S/C5H10BNO/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3
InChIKeyKUMUDRIXXQDHCH-UHFFFAOYSA-N
MW110.95 g/mol
LogP-0.37
Rot. Bonds3

About CID 58974204

CID 58974204 (PubChem CID 58974204) has the molecular formula C5H10BNO and a molecular weight of 110.95 g/mol.

Molecular Properties

Compound NameCID 58974204
PubChem CID58974204
Molecular FormulaC5H10BNO
Molecular Weight110.95 g/mol
Exact Mass111.09
IUPAC Name—
SMILES[B]C(=O)CCN(C)C
InChIInChI=1S/C5H10BNO/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3
InChIKeyKUMUDRIXXQDHCH-UHFFFAOYSA-N
XLogP-0.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.95
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylamino)propanoyl fluoride
CID 139607788
3-(Diethylamino)propan-1-one;tungsten
CID 57764630
CID 160792893
CID 160792893
3-(Diethylamino)propan-1-one
CID 3631845

Frequently Asked Questions

What is the IUPAC name of CID 58974204?
The IUPAC name of CID 58974204 (CID 58974204) is not available.
What is the SMILES notation for CID 58974204?
The canonical SMILES for CID 58974204 is [B]C(=O)CCN(C)C.
What is the InChIKey of CID 58974204?
The InChIKey is KUMUDRIXXQDHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BNO/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3.
What are the key properties of CID 58974204?
CID 58974204 has a molecular weight of 110.95 g/mol, XLogP of -0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58974204 is sourced from PubChem (CID 58974204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).