(4R)-2-imino-4-prop-1-en-2-yloctan-3-one

C11H19NO — CID 143367330

IUPAC(4R)-2-imino-4-prop-1-en-2-yloctan-3-one
SMILES[H]/N=C(\C)C(=O)[C@H](CCCC)C(=C)C
InChIInChI=1S/C11H19NO/c1-5-6-7-10(8(2)3)11(13)9(4)12/h10,12H,2,5-7H2,1,3-4H3/b12-9+/t10-/m1/s1
InChIKeyLFFGEBSMAIZERM-QSARLWQPSA-N
MW181.28 g/mol
LogP2.98
Rot. Bonds6

About (4R)-2-imino-4-prop-1-en-2-yloctan-3-one

(4R)-2-imino-4-prop-1-en-2-yloctan-3-one (PubChem CID 143367330) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4R)-2-imino-4-prop-1-en-2-yloctan-3-one.

Molecular Properties

Compound Name(4R)-2-imino-4-prop-1-en-2-yloctan-3-one
PubChem CID143367330
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4R)-2-imino-4-prop-1-en-2-yloctan-3-one
SMILES[H]/N=C(\C)C(=O)[C@H](CCCC)C(=C)C
InChIInChI=1S/C11H19NO/c1-5-6-7-10(8(2)3)11(13)9(4)12/h10,12H,2,5-7H2,1,3-4H3/b12-9+/t10-/m1/s1
InChIKeyLFFGEBSMAIZERM-QSARLWQPSA-N
XLogP2.98
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 ≤ 52.98
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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Related Compounds

2-Imino-6-methyldec-8-en-3-one
CID 90885707
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
9-Imino-3,7,10-trimethylundeca-7,10-dien-2-one
CID 123272303
4-Ethanimidoyl-2,5-dimethylhex-1-en-3-one
CID 123419651
4-Ethyl-5-imino-2-methylhex-1-en-3-one
CID 123572705
8-Imino-3,9-dimethyl-7-methylidenedec-9-en-2-one
CID 123635742
8-Imino-3-methyl-7-methylidenedec-9-en-2-one
CID 123744513
5-Ethyl-6-imino-3-methylhepta-1,2-dien-4-one
CID 123757647
4-Ethenyl-2-iminocyclohexan-1-one
CID 123969539
(Z,3S)-5-ethanimidoyl-3-methylhept-5-en-2-one
CID 144390543
(4R)-2-imino-4-(2-methylpropyl)hept-6-en-3-one
CID 146182408
(7S)-12-imino-7-methyltridec-1-en-6-one
CID 147733929

Frequently Asked Questions

What is the IUPAC name of (4R)-2-imino-4-prop-1-en-2-yloctan-3-one?
The IUPAC name of (4R)-2-imino-4-prop-1-en-2-yloctan-3-one (CID 143367330) is (4R)-2-imino-4-prop-1-en-2-yloctan-3-one.
What is the SMILES notation for (4R)-2-imino-4-prop-1-en-2-yloctan-3-one?
The canonical SMILES for (4R)-2-imino-4-prop-1-en-2-yloctan-3-one is [H]/N=C(\C)C(=O)[C@H](CCCC)C(=C)C.
What is the InChIKey of (4R)-2-imino-4-prop-1-en-2-yloctan-3-one?
The InChIKey is LFFGEBSMAIZERM-QSARLWQPSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-7-10(8(2)3)11(13)9(4)12/h10,12H,2,5-7H2,1,3-4H3/b12-9+/t10-/m1/s1.
What are the key properties of (4R)-2-imino-4-prop-1-en-2-yloctan-3-one?
(4R)-2-imino-4-prop-1-en-2-yloctan-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.98, 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-prop-1-en-2-yloctan-3-one is sourced from PubChem (CID 143367330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).