N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide

C12H17NO2 — CID 97030197

IUPACN-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@@H](C)Cc1ccoc1
InChIInChI=1S/C12H17NO2/c1-3-4-5-12(14)13-10(2)8-11-6-7-15-9-11/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,13,14)/t10-/m0/s1
InChIKeyGMHBFDYOQFSZRV-JTQLQIEISA-N
MW207.27 g/mol
LogP2.29
Rot. Bonds6

About N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide

N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide (PubChem CID 97030197) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide
PubChem CID97030197
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@@H](C)Cc1ccoc1
InChIInChI=1S/C12H17NO2/c1-3-4-5-12(14)13-10(2)8-11-6-7-15-9-11/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,13,14)/t10-/m0/s1
InChIKeyGMHBFDYOQFSZRV-JTQLQIEISA-N
XLogP2.29
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide?
The IUPAC name of N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide (CID 97030197) is N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide.
What is the SMILES notation for N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide?
The canonical SMILES for N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide is C=CCCC(=O)N[C@@H](C)Cc1ccoc1.
What is the InChIKey of N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide?
The InChIKey is GMHBFDYOQFSZRV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-5-12(14)13-10(2)8-11-6-7-15-9-11/h3,6-7,9-10H,1,4-5,8H2,2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide?
N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide has a molecular weight of 207.27 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide is sourced from PubChem (CID 97030197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).