(E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide

C10H17NO2 — CID 103280655

IUPAC(E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1CCC(O)C1
InChIInChI=1S/C10H17NO2/c1-2-3-10(13)11-7-8-4-5-9(12)6-8/h2-3,8-9,12H,4-7H2,1H3,(H,11,13)/b3-2+
InChIKeyOTGWCTUSOAMIKX-NSCUHMNNSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds3

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

(E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide (PubChem CID 103280655) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide
PubChem CID103280655
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1CCC(O)C1
InChIInChI=1S/C10H17NO2/c1-2-3-10(13)11-7-8-4-5-9(12)6-8/h2-3,8-9,12H,4-7H2,1H3,(H,11,13)/b3-2+
InChIKeyOTGWCTUSOAMIKX-NSCUHMNNSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
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 (E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide?
The IUPAC name of (E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide (CID 103280655) is (E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide?
The canonical SMILES for (E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide is C/C=C/C(=O)NCC1CCC(O)C1.
What is the InChIKey of (E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide?
The InChIKey is OTGWCTUSOAMIKX-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-10(13)11-7-8-4-5-9(12)6-8/h2-3,8-9,12H,4-7H2,1H3,(H,11,13)/b3-2+.
What are the key properties of (E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide?
(E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-hydroxycyclopentyl)methyl]but-2-enamide is sourced from PubChem (CID 103280655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).