CID 6954753

C16H21N2O+ — CID 6954753

IUPAC—
SMILESCN1C(=O)[C@@]2(CC[NH2+]C23CCCC3)c2ccccc21
InChIInChI=1S/C16H20N2O/c1-18-13-7-3-2-6-12(13)16(14(18)19)10-11-17-15(16)8-4-5-9-15/h2-3,6-7,17H,4-5,8-11H2,1H3/p+1/t16-/m1/s1
InChIKeyQXWBITMBUVPYMS-MRXNPFEDSA-O
MW257.36 g/mol
LogP1.18
Rot. Bonds

About CID 6954753

CID 6954753 (PubChem CID 6954753) has the molecular formula C16H21N2O+ and a molecular weight of 257.36 g/mol.

Molecular Properties

Compound NameCID 6954753
PubChem CID6954753
Molecular FormulaC16H21N2O+
Molecular Weight257.36 g/mol
Exact Mass257.16
IUPAC Name—
SMILESCN1C(=O)[C@@]2(CC[NH2+]C23CCCC3)c2ccccc21
InChIInChI=1S/C16H20N2O/c1-18-13-7-3-2-6-12(13)16(14(18)19)10-11-17-15(16)8-4-5-9-15/h2-3,6-7,17H,4-5,8-11H2,1H3/p+1/t16-/m1/s1
InChIKeyQXWBITMBUVPYMS-MRXNPFEDSA-O
XLogP1.18
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 6954753?
The IUPAC name of CID 6954753 (CID 6954753) is not available.
What is the SMILES notation for CID 6954753?
The canonical SMILES for CID 6954753 is CN1C(=O)[C@@]2(CC[NH2+]C23CCCC3)c2ccccc21.
What is the InChIKey of CID 6954753?
The InChIKey is QXWBITMBUVPYMS-MRXNPFEDSA-O. The full InChI is InChI=1S/C16H20N2O/c1-18-13-7-3-2-6-12(13)16(14(18)19)10-11-17-15(16)8-4-5-9-15/h2-3,6-7,17H,4-5,8-11H2,1H3/p+1/t16-/m1/s1.
What are the key properties of CID 6954753?
CID 6954753 has a molecular weight of 257.36 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6954753 is sourced from PubChem (CID 6954753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).