CID 156713665

C16H19BN2O2 — CID 156713665

IUPAC—
SMILESCC1CCC2(C1)CC1(C2)OB(O)c2cnc3[nH]ccc3c21
InChIInChI=1S/C16H19BN2O2/c1-10-2-4-15(6-10)8-16(9-15)13-11-3-5-18-14(11)19-7-12(13)17(20)21-16/h3,5,7,10,20H,2,4,6,8-9H2,1H3,(H,18,19)
InChIKeyPYDHEXXQNAHIJL-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.08
Rot. Bonds

About CID 156713665

CID 156713665 (PubChem CID 156713665) has the molecular formula C16H19BN2O2 and a molecular weight of 282.15 g/mol.

Molecular Properties

Compound NameCID 156713665
PubChem CID156713665
Molecular FormulaC16H19BN2O2
Molecular Weight282.15 g/mol
Exact Mass282.15
IUPAC Name—
SMILESCC1CCC2(C1)CC1(C2)OB(O)c2cnc3[nH]ccc3c21
InChIInChI=1S/C16H19BN2O2/c1-10-2-4-15(6-10)8-16(9-15)13-11-3-5-18-14(11)19-7-12(13)17(20)21-16/h3,5,7,10,20H,2,4,6,8-9H2,1H3,(H,18,19)
InChIKeyPYDHEXXQNAHIJL-UHFFFAOYSA-N
XLogP2.08
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 156713725
CID 156713725
5-hydroxyspiro[4-oxa-8,10-diaza-5-boratricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-3,4'-piperidine]
CID 156713660
5-hydroxy-3',3'-dipropylspiro[4-oxa-8,10-diaza-5-boratricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-3,1'-cyclobutane]
CID 156713607
1',1'-diethyl-5-hydroxyspiro[4-oxa-8,10-diaza-5-boratricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-3,4'-cyclohexane]
CID 156713716
1'-cyclohexylsulfonyl-5-hydroxyspiro[4-oxa-8,10-diaza-5-boratricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-3,4'-piperidine]
CID 156713701
CID 156713575
CID 156713575
1'-ethylsulfonyl-5-hydroxyspiro[4-oxa-8,10-diaza-5-boratricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-3,4'-piperidine]
CID 156713759
N-[2-(5-hydroxyspiro[4-oxa-8,10-diaza-5-boratricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-3,4'-piperidine]-1'-yl)ethylsulfanyl]methanamine
CID 156713806
CID 156713812
CID 156713812
5-hydroxy-1'-phenylsulfanylspiro[4-oxa-8,10-diaza-5-boratricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-3,4'-piperidine]
CID 156713799
CID 156713645
CID 156713645
CID 156713720
CID 156713720

Frequently Asked Questions

What is the IUPAC name of CID 156713665?
The IUPAC name of CID 156713665 (CID 156713665) is not available.
What is the SMILES notation for CID 156713665?
The canonical SMILES for CID 156713665 is CC1CCC2(C1)CC1(C2)OB(O)c2cnc3[nH]ccc3c21.
What is the InChIKey of CID 156713665?
The InChIKey is PYDHEXXQNAHIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BN2O2/c1-10-2-4-15(6-10)8-16(9-15)13-11-3-5-18-14(11)19-7-12(13)17(20)21-16/h3,5,7,10,20H,2,4,6,8-9H2,1H3,(H,18,19).
What are the key properties of CID 156713665?
CID 156713665 has a molecular weight of 282.15 g/mol, XLogP of 2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156713665 is sourced from PubChem (CID 156713665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).