N-[[(E)-but-2-enoyl]amino]formamide

C5H8N2O2 — CID 15120469

IUPACN-[[(E)-but-2-enoyl]amino]formamide
SMILESC/C=C/C(=O)NNC=O
InChIInChI=1S/C5H8N2O2/c1-2-3-5(9)7-6-4-8/h2-4H,1H3,(H,6,8)(H,7,9)/b3-2+
InChIKeyWBNVNSVWTGPFLV-NSCUHMNNSA-N
MW128.13 g/mol
LogP-0.66
Rot. Bonds3

About N-[[(E)-but-2-enoyl]amino]formamide

N-[[(E)-but-2-enoyl]amino]formamide (PubChem CID 15120469) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N-[[(E)-but-2-enoyl]amino]formamide.

Molecular Properties

Compound NameN-[[(E)-but-2-enoyl]amino]formamide
PubChem CID15120469
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN-[[(E)-but-2-enoyl]amino]formamide
SMILESC/C=C/C(=O)NNC=O
InChIInChI=1S/C5H8N2O2/c1-2-3-5(9)7-6-4-8/h2-4H,1H3,(H,6,8)(H,7,9)/b3-2+
InChIKeyWBNVNSVWTGPFLV-NSCUHMNNSA-N
XLogP-0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(E)-but-2-enoyl]amino]formamide?
The IUPAC name of N-[[(E)-but-2-enoyl]amino]formamide (CID 15120469) is N-[[(E)-but-2-enoyl]amino]formamide.
What is the SMILES notation for N-[[(E)-but-2-enoyl]amino]formamide?
The canonical SMILES for N-[[(E)-but-2-enoyl]amino]formamide is C/C=C/C(=O)NNC=O.
What is the InChIKey of N-[[(E)-but-2-enoyl]amino]formamide?
The InChIKey is WBNVNSVWTGPFLV-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-2-3-5(9)7-6-4-8/h2-4H,1H3,(H,6,8)(H,7,9)/b3-2+.
What are the key properties of N-[[(E)-but-2-enoyl]amino]formamide?
N-[[(E)-but-2-enoyl]amino]formamide has a molecular weight of 128.13 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-but-2-enoyl]amino]formamide is sourced from PubChem (CID 15120469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).