3-amino-2-methyl-5-methylidenenonan-4-one

C11H21NO — CID 87812203

IUPAC3-amino-2-methyl-5-methylidenenonan-4-one
SMILESC=C(CCCC)C(=O)C(N)C(C)C
InChIInChI=1S/C11H21NO/c1-5-6-7-9(4)11(13)10(12)8(2)3/h8,10H,4-7,12H2,1-3H3
InChIKeyGJUXHCQNXRIEIA-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds6

About 3-amino-2-methyl-5-methylidenenonan-4-one

3-amino-2-methyl-5-methylidenenonan-4-one (PubChem CID 87812203) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-amino-2-methyl-5-methylidenenonan-4-one.

Molecular Properties

Compound Name3-amino-2-methyl-5-methylidenenonan-4-one
PubChem CID87812203
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-amino-2-methyl-5-methylidenenonan-4-one
SMILESC=C(CCCC)C(=O)C(N)C(C)C
InChIInChI=1S/C11H21NO/c1-5-6-7-9(4)11(13)10(12)8(2)3/h8,10H,4-7,12H2,1-3H3
InChIKeyGJUXHCQNXRIEIA-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-5-methylidenenonan-4-one?
The IUPAC name of 3-amino-2-methyl-5-methylidenenonan-4-one (CID 87812203) is 3-amino-2-methyl-5-methylidenenonan-4-one.
What is the SMILES notation for 3-amino-2-methyl-5-methylidenenonan-4-one?
The canonical SMILES for 3-amino-2-methyl-5-methylidenenonan-4-one is C=C(CCCC)C(=O)C(N)C(C)C.
What is the InChIKey of 3-amino-2-methyl-5-methylidenenonan-4-one?
The InChIKey is GJUXHCQNXRIEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-9(4)11(13)10(12)8(2)3/h8,10H,4-7,12H2,1-3H3.
What are the key properties of 3-amino-2-methyl-5-methylidenenonan-4-one?
3-amino-2-methyl-5-methylidenenonan-4-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-5-methylidenenonan-4-one is sourced from PubChem (CID 87812203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).