N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide

C13H21NO2 — CID 88999723

IUPACN-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@H](CC(=C)CC)C(C)=O
InChIInChI=1S/C13H21NO2/c1-5-7-8-13(16)14-12(11(4)15)9-10(3)6-2/h5,12H,1,3,6-9H2,2,4H3,(H,14,16)/t12-/m1/s1
InChIKeyGPRIMHWTSSEDRK-GFCCVEGCSA-N
MW223.32 g/mol
LogP2.38
Rot. Bonds8

About N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide

N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide (PubChem CID 88999723) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide.

Molecular Properties

Compound NameN-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide
PubChem CID88999723
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@H](CC(=C)CC)C(C)=O
InChIInChI=1S/C13H21NO2/c1-5-7-8-13(16)14-12(11(4)15)9-10(3)6-2/h5,12H,1,3,6-9H2,2,4H3,(H,14,16)/t12-/m1/s1
InChIKeyGPRIMHWTSSEDRK-GFCCVEGCSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-(2-oxo-5-hexenyl)-
CID 533893
N-[2-oxo-(z)-6-undecenyl]-acetamide
CID 129775954
N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide
CID 138967080
7-(2-Methylprop-2-enoyl)azepan-2-one
CID 20033929
13-(2-Methylprop-2-enoyl)-azacyclotridecan-2-one
CID 20033930
13-Prop-2-enoyl-azacyclotridecan-2-one
CID 20033933
N-(1-Acetyl-but-3-enyl)-isobutyramide
CID 21949598
2,2-Dimethyl-N-(1-propionyl-but-3-enyl)-propionamide
CID 21949646
N-propan-2-ylhept-6-enamide
CID 23466911
N-(6-oxooct-7-en-3-yl)prop-2-enamide
CID 58231914
10-methyl-9-oxo-N-propan-2-ylundec-10-enamide
CID 58298896
9-oxo-N-propan-2-ylundec-10-enamide
CID 58298909

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide?
The IUPAC name of N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide (CID 88999723) is N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide.
What is the SMILES notation for N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide?
The canonical SMILES for N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide is C=CCCC(=O)N[C@H](CC(=C)CC)C(C)=O.
What is the InChIKey of N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide?
The InChIKey is GPRIMHWTSSEDRK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-7-8-13(16)14-12(11(4)15)9-10(3)6-2/h5,12H,1,3,6-9H2,2,4H3,(H,14,16)/t12-/m1/s1.
What are the key properties of N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide?
N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide has a molecular weight of 223.32 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-methylidene-2-oxoheptan-3-yl]pent-4-enamide is sourced from PubChem (CID 88999723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).