CID 88938252

C9H11BN4O — CID 88938252

IUPAC—
SMILES[B]c1cnc(NC(=O)[C@@H]2CCCN2)nc1
InChIInChI=1S/C9H11BN4O/c10-6-4-12-9(13-5-6)14-8(15)7-2-1-3-11-7/h4-5,7,11H,1-3H2,(H,12,13,14,15)/t7-/m0/s1
InChIKeyRRFQTSNYKLXSKS-ZETCQYMHSA-N
MW202.03 g/mol
LogP-1.04
Rot. Bonds2

About CID 88938252

CID 88938252 (PubChem CID 88938252) has the molecular formula C9H11BN4O and a molecular weight of 202.03 g/mol.

Molecular Properties

Compound NameCID 88938252
PubChem CID88938252
Molecular FormulaC9H11BN4O
Molecular Weight202.03 g/mol
Exact Mass202.10
IUPAC Name—
SMILES[B]c1cnc(NC(=O)[C@@H]2CCCN2)nc1
InChIInChI=1S/C9H11BN4O/c10-6-4-12-9(13-5-6)14-8(15)7-2-1-3-11-7/h4-5,7,11H,1-3H2,(H,12,13,14,15)/t7-/m0/s1
InChIKeyRRFQTSNYKLXSKS-ZETCQYMHSA-N
XLogP-1.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.03
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 45116189
(2R)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130763232
(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
(2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130962020
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 104619250

Frequently Asked Questions

What is the IUPAC name of CID 88938252?
The IUPAC name of CID 88938252 (CID 88938252) is not available.
What is the SMILES notation for CID 88938252?
The canonical SMILES for CID 88938252 is [B]c1cnc(NC(=O)[C@@H]2CCCN2)nc1.
What is the InChIKey of CID 88938252?
The InChIKey is RRFQTSNYKLXSKS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11BN4O/c10-6-4-12-9(13-5-6)14-8(15)7-2-1-3-11-7/h4-5,7,11H,1-3H2,(H,12,13,14,15)/t7-/m0/s1.
What are the key properties of CID 88938252?
CID 88938252 has a molecular weight of 202.03 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88938252 is sourced from PubChem (CID 88938252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).