CID 174083210

C10H14BNO4 — CID 174083210

IUPAC—
SMILES[B]C1C(=O)N(CCOCCC=O)C(=O)C1C
InChIInChI=1S/C10H14BNO4/c1-7-8(11)10(15)12(9(7)14)3-6-16-5-2-4-13/h4,7-8H,2-3,5-6H2,1H3
InChIKeyONMVTQLWRMWWIY-UHFFFAOYSA-N
MW223.04 g/mol
LogP-0.45
Rot. Bonds6

About CID 174083210

CID 174083210 (PubChem CID 174083210) has the molecular formula C10H14BNO4 and a molecular weight of 223.04 g/mol.

Molecular Properties

Compound NameCID 174083210
PubChem CID174083210
Molecular FormulaC10H14BNO4
Molecular Weight223.04 g/mol
Exact Mass223.10
IUPAC Name—
SMILES[B]C1C(=O)N(CCOCCC=O)C(=O)C1C
InChIInChI=1S/C10H14BNO4/c1-7-8(11)10(15)12(9(7)14)3-6-16-5-2-4-13/h4,7-8H,2-3,5-6H2,1H3
InChIKeyONMVTQLWRMWWIY-UHFFFAOYSA-N
XLogP-0.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethylpiperidine;3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;ethane
CID 145076605
1,4-dimethylpiperidine;ethane;3-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal;propane
CID 145076589
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 129055846
3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 153358497
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
3-(2-propan-2-yloxyethoxy)propanal
CID 63040405
2-(2-propoxyethyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 137482807
(3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 166506249
3-(3-silylpropoxy)propanal
CID 174928401
1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione
CID 106409891
1-(2-but-3-enoxyethyl)pyrrole-2,5-dione
CID 106402479
2,6-bis[2-(2-hydroxyethoxy)ethyl]-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 89453005

Frequently Asked Questions

What is the IUPAC name of CID 174083210?
The IUPAC name of CID 174083210 (CID 174083210) is not available.
What is the SMILES notation for CID 174083210?
The canonical SMILES for CID 174083210 is [B]C1C(=O)N(CCOCCC=O)C(=O)C1C.
What is the InChIKey of CID 174083210?
The InChIKey is ONMVTQLWRMWWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BNO4/c1-7-8(11)10(15)12(9(7)14)3-6-16-5-2-4-13/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of CID 174083210?
CID 174083210 has a molecular weight of 223.04 g/mol, XLogP of -0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174083210 is sourced from PubChem (CID 174083210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).