(Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide

C9H16INO2 — CID 59097705

IUPAC(Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide
SMILESCC/C(I)=C/C[C@H](O)C(=O)N(C)C
InChIInChI=1S/C9H16INO2/c1-4-7(10)5-6-8(12)9(13)11(2)3/h5,8,12H,4,6H2,1-3H3/b7-5-/t8-/m0/s1
InChIKeyKXOJGHGGUHKVPV-TVSKSKRASA-N
MW297.14 g/mol
LogP1.55
Rot. Bonds4

About (Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide

(Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide (PubChem CID 59097705) has the molecular formula C9H16INO2 and a molecular weight of 297.14 g/mol. Its IUPAC name is (Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide.

Molecular Properties

Compound Name(Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide
PubChem CID59097705
Molecular FormulaC9H16INO2
Molecular Weight297.14 g/mol
Exact Mass297.02
IUPAC Name(Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide
SMILESCC/C(I)=C/C[C@H](O)C(=O)N(C)C
InChIInChI=1S/C9H16INO2/c1-4-7(10)5-6-8(12)9(13)11(2)3/h5,8,12H,4,6H2,1-3H3/b7-5-/t8-/m0/s1
InChIKeyKXOJGHGGUHKVPV-TVSKSKRASA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide?
The IUPAC name of (Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide (CID 59097705) is (Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide.
What is the SMILES notation for (Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide?
The canonical SMILES for (Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide is CC/C(I)=C/C[C@H](O)C(=O)N(C)C.
What is the InChIKey of (Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide?
The InChIKey is KXOJGHGGUHKVPV-TVSKSKRASA-N. The full InChI is InChI=1S/C9H16INO2/c1-4-7(10)5-6-8(12)9(13)11(2)3/h5,8,12H,4,6H2,1-3H3/b7-5-/t8-/m0/s1.
What are the key properties of (Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide?
(Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide has a molecular weight of 297.14 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-hydroxy-5-iodo-N,N-dimethylhept-4-enamide is sourced from PubChem (CID 59097705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).