CID 172771963

C11H19LiNO — CID 172771963

IUPAC—
SMILESCC(C)C1=C(C(C)C)C(N)OC=C1.[Li]
InChIInChI=1S/C11H19NO.Li/c1-7(2)9-5-6-13-11(12)10(9)8(3)4;/h5-8,11H,12H2,1-4H3;
InChIKeyNBRLRYCHKIWQGY-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.04
Rot. Bonds2

About CID 172771963

CID 172771963 (PubChem CID 172771963) has the molecular formula C11H19LiNO and a molecular weight of 188.22 g/mol.

Molecular Properties

Compound NameCID 172771963
PubChem CID172771963
Molecular FormulaC11H19LiNO
Molecular Weight188.22 g/mol
Exact Mass188.16
IUPAC Name—
SMILESCC(C)C1=C(C(C)C)C(N)OC=C1.[Li]
InChIInChI=1S/C11H19NO.Li/c1-7(2)9-5-6-13-11(12)10(9)8(3)4;/h5-8,11H,12H2,1-4H3;
InChIKeyNBRLRYCHKIWQGY-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172771963?
The IUPAC name of CID 172771963 (CID 172771963) is not available.
What is the SMILES notation for CID 172771963?
The canonical SMILES for CID 172771963 is CC(C)C1=C(C(C)C)C(N)OC=C1.[Li].
What is the InChIKey of CID 172771963?
The InChIKey is NBRLRYCHKIWQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.Li/c1-7(2)9-5-6-13-11(12)10(9)8(3)4;/h5-8,11H,12H2,1-4H3;.
What are the key properties of CID 172771963?
CID 172771963 has a molecular weight of 188.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172771963 is sourced from PubChem (CID 172771963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).