2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide

C13H23NO — CID 58763528

IUPAC2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide
SMILESCC(C)/C=C\C1C[C@@]1(C)NC(=O)C(C)C
InChIInChI=1S/C13H23NO/c1-9(2)6-7-11-8-13(11,5)14-12(15)10(3)4/h6-7,9-11H,8H2,1-5H3,(H,14,15)/b7-6-/t11?,13-/m1/s1
InChIKeyNOOAXXWKKRDLRU-SFZLJTGISA-N
MW209.33 g/mol
LogP2.75
Rot. Bonds4

About 2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide

2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide (PubChem CID 58763528) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide
PubChem CID58763528
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide
SMILESCC(C)/C=C\C1C[C@@]1(C)NC(=O)C(C)C
InChIInChI=1S/C13H23NO/c1-9(2)6-7-11-8-13(11,5)14-12(15)10(3)4/h6-7,9-11H,8H2,1-5H3,(H,14,15)/b7-6-/t11?,13-/m1/s1
InChIKeyNOOAXXWKKRDLRU-SFZLJTGISA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide?
The IUPAC name of 2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide (CID 58763528) is 2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide is CC(C)/C=C\C1C[C@@]1(C)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide?
The InChIKey is NOOAXXWKKRDLRU-SFZLJTGISA-N. The full InChI is InChI=1S/C13H23NO/c1-9(2)6-7-11-8-13(11,5)14-12(15)10(3)4/h6-7,9-11H,8H2,1-5H3,(H,14,15)/b7-6-/t11?,13-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide?
2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide has a molecular weight of 209.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclopropyl]propanamide is sourced from PubChem (CID 58763528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).