N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine

C13H17NO — CID 11030913

IUPACN-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine
SMILESCC1(C)C(=NO)C(C)(C)c2ccccc21
InChIInChI=1S/C13H17NO/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14-15/h5-8,15H,1-4H3
InChIKeyAACLGJZUVOJXJP-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.09
Rot. Bonds

About N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine

N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine (PubChem CID 11030913) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine
PubChem CID11030913
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine
SMILESCC1(C)C(=NO)C(C)(C)c2ccccc21
InChIInChI=1S/C13H17NO/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14-15/h5-8,15H,1-4H3
InChIKeyAACLGJZUVOJXJP-UHFFFAOYSA-N
XLogP3.09
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine?
The IUPAC name of N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine (CID 11030913) is N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine?
The canonical SMILES for N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine is CC1(C)C(=NO)C(C)(C)c2ccccc21.
What is the InChIKey of N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine?
The InChIKey is AACLGJZUVOJXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)14-15/h5-8,15H,1-4H3.
What are the key properties of N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine?
N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine has a molecular weight of 203.28 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,3,3-tetramethylinden-2-ylidene)hydroxylamine is sourced from PubChem (CID 11030913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).