(4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one

C11H19NO — CID 146182408

IUPAC(4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one
SMILES[H]/N=C(\C)C(=O)[C@@H](CC=C)CC(C)C
InChIInChI=1S/C11H19NO/c1-5-6-10(7-8(2)3)11(13)9(4)12/h5,8,10,12H,1,6-7H2,2-4H3/b12-9+/t10-/m0/s1
InChIKeyRHJVSLJVCRJRCF-LZAIMSLLSA-N
MW181.28 g/mol
LogP2.83
Rot. Bonds6

About (4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one

(4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one (PubChem CID 146182408) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one.

Molecular Properties

Compound Name(4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one
PubChem CID146182408
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one
SMILES[H]/N=C(\C)C(=O)[C@@H](CC=C)CC(C)C
InChIInChI=1S/C11H19NO/c1-5-6-10(7-8(2)3)11(13)9(4)12/h5,8,10,12H,1,6-7H2,2-4H3/b12-9+/t10-/m0/s1
InChIKeyRHJVSLJVCRJRCF-LZAIMSLLSA-N
XLogP2.83
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one?
The IUPAC name of (4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one (CID 146182408) is (4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one.
What is the SMILES notation for (4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one?
The canonical SMILES for (4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one is [H]/N=C(\C)C(=O)[C@@H](CC=C)CC(C)C.
What is the InChIKey of (4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one?
The InChIKey is RHJVSLJVCRJRCF-LZAIMSLLSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-10(7-8(2)3)11(13)9(4)12/h5,8,10,12H,1,6-7H2,2-4H3/b12-9+/t10-/m0/s1.
What are the key properties of (4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one?
(4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one is sourced from PubChem (CID 146182408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).