N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide

C11H19NO2 — CID 103279807

IUPACN-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC1CCC(O)C1
InChIInChI=1S/C11H19NO2/c1-8(2)5-11(14)12-7-9-3-4-10(13)6-9/h5,9-10,13H,3-4,6-7H2,1-2H3,(H,12,14)
InChIKeyWCZSXKQBJXACPG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.23
Rot. Bonds3

About N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide

N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide (PubChem CID 103279807) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide
PubChem CID103279807
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC1CCC(O)C1
InChIInChI=1S/C11H19NO2/c1-8(2)5-11(14)12-7-9-3-4-10(13)6-9/h5,9-10,13H,3-4,6-7H2,1-2H3,(H,12,14)
InChIKeyWCZSXKQBJXACPG-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide (CID 103279807) is N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide?
The InChIKey is WCZSXKQBJXACPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)5-11(14)12-7-9-3-4-10(13)6-9/h5,9-10,13H,3-4,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide?
N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-3-methylbut-2-enamide is sourced from PubChem (CID 103279807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).