N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide

C14H19NO3 — CID 111696857

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)N[C@@H]2C=C[C@H](CO)C2)o1
InChIInChI=1S/C14H19NO3/c1-10-2-5-13(18-10)6-7-14(17)15-12-4-3-11(8-12)9-16/h2-5,11-12,16H,6-9H2,1H3,(H,15,17)/t11-,12+/m0/s1
InChIKeyRWWXMNMOZQWSBD-NWDGAFQWSA-N
MW249.31 g/mol
LogP1.57
Rot. Bonds5

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide (PubChem CID 111696857) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide
PubChem CID111696857
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)N[C@@H]2C=C[C@H](CO)C2)o1
InChIInChI=1S/C14H19NO3/c1-10-2-5-13(18-10)6-7-14(17)15-12-4-3-11(8-12)9-16/h2-5,11-12,16H,6-9H2,1H3,(H,15,17)/t11-,12+/m0/s1
InChIKeyRWWXMNMOZQWSBD-NWDGAFQWSA-N
XLogP1.57
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide (CID 111696857) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=O)N[C@@H]2C=C[C@H](CO)C2)o1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is RWWXMNMOZQWSBD-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-2-5-13(18-10)6-7-14(17)15-12-4-3-11(8-12)9-16/h2-5,11-12,16H,6-9H2,1H3,(H,15,17)/t11-,12+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 111696857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).