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

C9H15NO2 — CID 106120077

IUPACN-[(3-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCC(O)C1
InChIInChI=1S/C9H15NO2/c1-2-9(12)10-6-7-3-4-8(11)5-7/h2,7-8,11H,1,3-6H2,(H,10,12)
InChIKeyGSKWKYVLIUYKGV-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.45
Rot. Bonds3

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

N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide (PubChem CID 106120077) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]prop-2-enamide
PubChem CID106120077
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCC(O)C1
InChIInChI=1S/C9H15NO2/c1-2-9(12)10-6-7-3-4-8(11)5-7/h2,7-8,11H,1,3-6H2,(H,10,12)
InChIKeyGSKWKYVLIUYKGV-UHFFFAOYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.45
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]prop-2-enamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide (CID 106120077) is N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide is C=CC(=O)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide?
The InChIKey is GSKWKYVLIUYKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-9(12)10-6-7-3-4-8(11)5-7/h2,7-8,11H,1,3-6H2,(H,10,12).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide?
N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.45, 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]prop-2-enamide is sourced from PubChem (CID 106120077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).