CID 174099359

C14H24BNP — CID 174099359

IUPAC—
SMILESC=C/C([B]N1CC[C@@](C)(P)C(C)C1)=C\C=C/C
InChIInChI=1S/C14H24BNP/c1-5-7-8-13(6-2)15-16-10-9-14(4,17)12(3)11-16/h5-8,12H,2,9-11,17H2,1,3-4H3/b7-5-,13-8+/t12?,14-/m1/s1
InChIKeyPYBLNODHPQEUAE-GHLNBLHGSA-N
MW248.14 g/mol
LogP3.23
Rot. Bonds4

About CID 174099359

CID 174099359 (PubChem CID 174099359) has the molecular formula C14H24BNP and a molecular weight of 248.14 g/mol.

Molecular Properties

Compound NameCID 174099359
PubChem CID174099359
Molecular FormulaC14H24BNP
Molecular Weight248.14 g/mol
Exact Mass248.17
IUPAC Name—
SMILESC=C/C([B]N1CC[C@@](C)(P)C(C)C1)=C\C=C/C
InChIInChI=1S/C14H24BNP/c1-5-7-8-13(6-2)15-16-10-9-14(4,17)12(3)11-16/h5-8,12H,2,9-11,17H2,1,3-4H3/b7-5-,13-8+/t12?,14-/m1/s1
InChIKeyPYBLNODHPQEUAE-GHLNBLHGSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174099359?
The IUPAC name of CID 174099359 (CID 174099359) is not available.
What is the SMILES notation for CID 174099359?
The canonical SMILES for CID 174099359 is C=C/C([B]N1CC[C@@](C)(P)C(C)C1)=C\C=C/C.
What is the InChIKey of CID 174099359?
The InChIKey is PYBLNODHPQEUAE-GHLNBLHGSA-N. The full InChI is InChI=1S/C14H24BNP/c1-5-7-8-13(6-2)15-16-10-9-14(4,17)12(3)11-16/h5-8,12H,2,9-11,17H2,1,3-4H3/b7-5-,13-8+/t12?,14-/m1/s1.
What are the key properties of CID 174099359?
CID 174099359 has a molecular weight of 248.14 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174099359 is sourced from PubChem (CID 174099359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).