CID 59765360

C9H15BN2O2 — CID 59765360

IUPAC—
SMILES[B]C(=O)N1CCCC1C(=O)NCCC
InChIInChI=1S/C9H15BN2O2/c1-2-5-11-8(13)7-4-3-6-12(7)9(10)14/h7H,2-6H2,1H3,(H,11,13)
InChIKeyTYPYBNWOMHAURQ-UHFFFAOYSA-N
MW194.04 g/mol
LogP0.27
Rot. Bonds3

About CID 59765360

CID 59765360 (PubChem CID 59765360) has the molecular formula C9H15BN2O2 and a molecular weight of 194.04 g/mol.

Molecular Properties

Compound NameCID 59765360
PubChem CID59765360
Molecular FormulaC9H15BN2O2
Molecular Weight194.04 g/mol
Exact Mass194.12
IUPAC Name—
SMILES[B]C(=O)N1CCCC1C(=O)NCCC
InChIInChI=1S/C9H15BN2O2/c1-2-5-11-8(13)7-4-3-6-12(7)9(10)14/h7H,2-6H2,1H3,(H,11,13)
InChIKeyTYPYBNWOMHAURQ-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
1-(2-aminobutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 22451228
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide
CID 11658913
(2S)-1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-propylpyrrolidine-2-carboxamide
CID 42618120
2-[2-(dodecylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67813627
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
1-(3,3-dimethylbutanoyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119506295
1-formyl-N-propylazetidine-2-carboxamide
CID 87282789

Frequently Asked Questions

What is the IUPAC name of CID 59765360?
The IUPAC name of CID 59765360 (CID 59765360) is not available.
What is the SMILES notation for CID 59765360?
The canonical SMILES for CID 59765360 is [B]C(=O)N1CCCC1C(=O)NCCC.
What is the InChIKey of CID 59765360?
The InChIKey is TYPYBNWOMHAURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BN2O2/c1-2-5-11-8(13)7-4-3-6-12(7)9(10)14/h7H,2-6H2,1H3,(H,11,13).
What are the key properties of CID 59765360?
CID 59765360 has a molecular weight of 194.04 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59765360 is sourced from PubChem (CID 59765360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).