CID 174075237

C10H17BN — CID 174075237

IUPAC—
SMILESC[B]C1CCCC(C#N)CCC1
InChIInChI=1S/C10H17BN/c1-11-10-6-2-4-9(8-12)5-3-7-10/h9-10H,2-7H2,1H3
InChIKeyISAQVRHQXXQDEC-UHFFFAOYSA-N
MW162.06 g/mol
LogP3.02
Rot. Bonds1

About CID 174075237

CID 174075237 (PubChem CID 174075237) has the molecular formula C10H17BN and a molecular weight of 162.06 g/mol.

Molecular Properties

Compound NameCID 174075237
PubChem CID174075237
Molecular FormulaC10H17BN
Molecular Weight162.06 g/mol
Exact Mass162.15
IUPAC Name—
SMILESC[B]C1CCCC(C#N)CCC1
InChIInChI=1S/C10H17BN/c1-11-10-6-2-4-9(8-12)5-3-7-10/h9-10H,2-7H2,1H3
InChIKeyISAQVRHQXXQDEC-UHFFFAOYSA-N
XLogP3.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclooctanecarbonitrile
CID 13075060
cyclohexanecarbonitrile;fluoromethane
CID 143506107
cyclooctanecarbonitrile;methane
CID 173081929
cyclohexanecarbonitrile;hydrochloride
CID 141135021
cyclohexanecarbonitrile;2-methylpropanenitrile
CID 118270870
cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile
CID 69057748
3-hydroxycyclohexane-1-carbonitrile
CID 22743809
oxepane-4-carbonitrile
CID 65076839
(4R)-azepane-4-carbonitrile;hydrochloride
CID 171641118
3-acetylcyclohexane-1-carbonitrile
CID 118513837
4-propan-2-ylcyclohexane-1-carbonitrile
CID 160915372
1-methylpiperidine-4-carbonitrile
CID 11789206

Frequently Asked Questions

What is the IUPAC name of CID 174075237?
The IUPAC name of CID 174075237 (CID 174075237) is not available.
What is the SMILES notation for CID 174075237?
The canonical SMILES for CID 174075237 is C[B]C1CCCC(C#N)CCC1.
What is the InChIKey of CID 174075237?
The InChIKey is ISAQVRHQXXQDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN/c1-11-10-6-2-4-9(8-12)5-3-7-10/h9-10H,2-7H2,1H3.
What are the key properties of CID 174075237?
CID 174075237 has a molecular weight of 162.06 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174075237 is sourced from PubChem (CID 174075237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).