N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide

C12H23NO2 — CID 170069169

IUPACN-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide
SMILESCC/C=C\CC(C)C(O)NC(=O)CCC
InChIInChI=1S/C12H23NO2/c1-4-6-7-9-10(3)12(15)13-11(14)8-5-2/h6-7,10,12,15H,4-5,8-9H2,1-3H3,(H,13,14)/b7-6-
InChIKeyJONNASVOOPNGMU-SREVYHEPSA-N
MW213.32 g/mol
LogP2.21
Rot. Bonds7

About N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide

N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide (PubChem CID 170069169) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide.

Molecular Properties

Compound NameN-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide
PubChem CID170069169
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide
SMILESCC/C=C\CC(C)C(O)NC(=O)CCC
InChIInChI=1S/C12H23NO2/c1-4-6-7-9-10(3)12(15)13-11(14)8-5-2/h6-7,10,12,15H,4-5,8-9H2,1-3H3,(H,13,14)/b7-6-
InChIKeyJONNASVOOPNGMU-SREVYHEPSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide?
The IUPAC name of N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide (CID 170069169) is N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide.
What is the SMILES notation for N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide?
The canonical SMILES for N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide is CC/C=C\CC(C)C(O)NC(=O)CCC.
What is the InChIKey of N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide?
The InChIKey is JONNASVOOPNGMU-SREVYHEPSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-6-7-9-10(3)12(15)13-11(14)8-5-2/h6-7,10,12,15H,4-5,8-9H2,1-3H3,(H,13,14)/b7-6-.
What are the key properties of N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide?
N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide has a molecular weight of 213.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-hydroxy-2-methylhept-4-enyl]butanamide is sourced from PubChem (CID 170069169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).