N-[(2S)-1-oxopent-4-en-2-yl]formamide

C6H9NO2 — CID 89064400

IUPACN-[(2S)-1-oxopent-4-en-2-yl]formamide
SMILESC=CC[C@@H](C=O)NC=O
InChIInChI=1S/C6H9NO2/c1-2-3-6(4-8)7-5-9/h2,4-6H,1,3H2,(H,7,9)/t6-/m0/s1
InChIKeyAHIMCXWFMUXAHO-LURJTMIESA-N
MW127.14 g/mol
LogP-0.12
Rot. Bonds5

About N-[(2S)-1-oxopent-4-en-2-yl]formamide

N-[(2S)-1-oxopent-4-en-2-yl]formamide (PubChem CID 89064400) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is N-[(2S)-1-oxopent-4-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-1-oxopent-4-en-2-yl]formamide
PubChem CID89064400
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC NameN-[(2S)-1-oxopent-4-en-2-yl]formamide
SMILESC=CC[C@@H](C=O)NC=O
InChIInChI=1S/C6H9NO2/c1-2-3-6(4-8)7-5-9/h2,4-6H,1,3H2,(H,7,9)/t6-/m0/s1
InChIKeyAHIMCXWFMUXAHO-LURJTMIESA-N
XLogP-0.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxopent-4-en-2-yl]formamide?
The IUPAC name of N-[(2S)-1-oxopent-4-en-2-yl]formamide (CID 89064400) is N-[(2S)-1-oxopent-4-en-2-yl]formamide.
What is the SMILES notation for N-[(2S)-1-oxopent-4-en-2-yl]formamide?
The canonical SMILES for N-[(2S)-1-oxopent-4-en-2-yl]formamide is C=CC[C@@H](C=O)NC=O.
What is the InChIKey of N-[(2S)-1-oxopent-4-en-2-yl]formamide?
The InChIKey is AHIMCXWFMUXAHO-LURJTMIESA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-3-6(4-8)7-5-9/h2,4-6H,1,3H2,(H,7,9)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-oxopent-4-en-2-yl]formamide?
N-[(2S)-1-oxopent-4-en-2-yl]formamide has a molecular weight of 127.14 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxopent-4-en-2-yl]formamide is sourced from PubChem (CID 89064400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).