CID 144771273

C4H8BNO — CID 144771273

IUPAC—
SMILES[B]C(O)C1(N)CC1
InChIInChI=1S/C4H8BNO/c5-3(7)4(6)1-2-4/h3,7H,1-2,6H2
InChIKeyIFRLQOLGFBTECX-UHFFFAOYSA-N
MW96.93 g/mol
LogP-1.04
Rot. Bonds1

About CID 144771273

CID 144771273 (PubChem CID 144771273) has the molecular formula C4H8BNO and a molecular weight of 96.93 g/mol.

Molecular Properties

Compound NameCID 144771273
PubChem CID144771273
Molecular FormulaC4H8BNO
Molecular Weight96.93 g/mol
Exact Mass97.07
IUPAC Name—
SMILES[B]C(O)C1(N)CC1
InChIInChI=1S/C4H8BNO/c5-3(7)4(6)1-2-4/h3,7H,1-2,6H2
InChIKeyIFRLQOLGFBTECX-UHFFFAOYSA-N
XLogP-1.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.93
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(1-aminocyclopropyl)ethanol
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1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride
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1-(difluoromethyl)cyclopropan-1-amine;hydrochloride
CID 91663075
(1S)-1-(1-aminocycloheptyl)ethanol
CID 134175207
2-(1-aminocycloicosyl)propane-1,1-diol
CID 155410308
(3-aminothietan-3-yl)methanediol
CID 123505856
CID 145159895
CID 145159895
2-(1-aminocyclooctyl)propanamide
CID 138738816
(1S,3S)-1-(1-aminocyclopropyl)hexadecane-1,3-diol
CID 70685989
(2R)-1-(1-aminocyclopropyl)propan-2-ol
CID 96637979
1-(1-cyclopropyl-2,2-difluoropropyl)cyclopropan-1-amine
CID 105436095
(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 116836231

Frequently Asked Questions

What is the IUPAC name of CID 144771273?
The IUPAC name of CID 144771273 (CID 144771273) is not available.
What is the SMILES notation for CID 144771273?
The canonical SMILES for CID 144771273 is [B]C(O)C1(N)CC1.
What is the InChIKey of CID 144771273?
The InChIKey is IFRLQOLGFBTECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BNO/c5-3(7)4(6)1-2-4/h3,7H,1-2,6H2.
What are the key properties of CID 144771273?
CID 144771273 has a molecular weight of 96.93 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144771273 is sourced from PubChem (CID 144771273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).