N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide

C11H19NO2 — CID 59539175

IUPACN-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide
SMILESC=CC[C@H](NC(=O)CC)C(=O)C(C)C
InChIInChI=1S/C11H19NO2/c1-5-7-9(11(14)8(3)4)12-10(13)6-2/h5,8-9H,1,6-7H2,2-4H3,(H,12,13)/t9-/m0/s1
InChIKeyUGVWMKHPMBSBNG-VIFPVBQESA-N
MW197.28 g/mol
LogP1.68
Rot. Bonds6

About N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide

N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide (PubChem CID 59539175) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide
PubChem CID59539175
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide
SMILESC=CC[C@H](NC(=O)CC)C(=O)C(C)C
InChIInChI=1S/C11H19NO2/c1-5-7-9(11(14)8(3)4)12-10(13)6-2/h5,8-9H,1,6-7H2,2-4H3,(H,12,13)/t9-/m0/s1
InChIKeyUGVWMKHPMBSBNG-VIFPVBQESA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide?
The IUPAC name of N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide (CID 59539175) is N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide.
What is the SMILES notation for N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide?
The canonical SMILES for N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide is C=CC[C@H](NC(=O)CC)C(=O)C(C)C.
What is the InChIKey of N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide?
The InChIKey is UGVWMKHPMBSBNG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-7-9(11(14)8(3)4)12-10(13)6-2/h5,8-9H,1,6-7H2,2-4H3,(H,12,13)/t9-/m0/s1.
What are the key properties of N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide?
N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide has a molecular weight of 197.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-methyl-5-oxohept-1-en-4-yl]propanamide is sourced from PubChem (CID 59539175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).