CID 10776489

C12H21N2O3 — CID 10776489

IUPAC—
SMILESCC1(C)C=C(C(=O)NCCCO)C(C)(C)N1[O]
InChIInChI=1S/C12H21N2O3/c1-11(2)8-9(12(3,4)14(11)17)10(16)13-6-5-7-15/h8,15H,5-7H2,1-4H3,(H,13,16)
InChIKeyCKSFWQFZFJOSPD-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.63
Rot. Bonds4

About CID 10776489

CID 10776489 (PubChem CID 10776489) has the molecular formula C12H21N2O3 and a molecular weight of 241.31 g/mol.

Molecular Properties

Compound NameCID 10776489
PubChem CID10776489
Molecular FormulaC12H21N2O3
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name—
SMILESCC1(C)C=C(C(=O)NCCCO)C(C)(C)N1[O]
InChIInChI=1S/C12H21N2O3/c1-11(2)8-9(12(3,4)14(11)17)10(16)13-6-5-7-15/h8,15H,5-7H2,1-4H3,(H,13,16)
InChIKeyCKSFWQFZFJOSPD-UHFFFAOYSA-N
XLogP0.63
TPSA72.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10776489?
The IUPAC name of CID 10776489 (CID 10776489) is not available.
What is the SMILES notation for CID 10776489?
The canonical SMILES for CID 10776489 is CC1(C)C=C(C(=O)NCCCO)C(C)(C)N1[O].
What is the InChIKey of CID 10776489?
The InChIKey is CKSFWQFZFJOSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2O3/c1-11(2)8-9(12(3,4)14(11)17)10(16)13-6-5-7-15/h8,15H,5-7H2,1-4H3,(H,13,16).
What are the key properties of CID 10776489?
CID 10776489 has a molecular weight of 241.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10776489 is sourced from PubChem (CID 10776489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).