N-[[(Z)-prop-1-enyl]iminomethyl]formamide

C5H8N2O — CID 145377941

IUPACN-[[(Z)-prop-1-enyl]iminomethyl]formamide
SMILESC/C=C\N=C\NC=O
InChIInChI=1S/C5H8N2O/c1-2-3-6-4-7-5-8/h2-5H,1H3,(H,6,7,8)/b3-2-
InChIKeyHNEDLRDWEOYVKE-IHWYPQMZSA-N
MW112.13 g/mol
LogP0.29
Rot. Bonds3

About N-[[(Z)-prop-1-enyl]iminomethyl]formamide

N-[[(Z)-prop-1-enyl]iminomethyl]formamide (PubChem CID 145377941) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-[[(Z)-prop-1-enyl]iminomethyl]formamide.

Molecular Properties

Compound NameN-[[(Z)-prop-1-enyl]iminomethyl]formamide
PubChem CID145377941
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-[[(Z)-prop-1-enyl]iminomethyl]formamide
SMILESC/C=C\N=C\NC=O
InChIInChI=1S/C5H8N2O/c1-2-3-6-4-7-5-8/h2-5H,1H3,(H,6,7,8)/b3-2-
InChIKeyHNEDLRDWEOYVKE-IHWYPQMZSA-N
XLogP0.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-prop-1-enyl]iminomethyl]formamide?
The IUPAC name of N-[[(Z)-prop-1-enyl]iminomethyl]formamide (CID 145377941) is N-[[(Z)-prop-1-enyl]iminomethyl]formamide.
What is the SMILES notation for N-[[(Z)-prop-1-enyl]iminomethyl]formamide?
The canonical SMILES for N-[[(Z)-prop-1-enyl]iminomethyl]formamide is C/C=C\N=C\NC=O.
What is the InChIKey of N-[[(Z)-prop-1-enyl]iminomethyl]formamide?
The InChIKey is HNEDLRDWEOYVKE-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-3-6-4-7-5-8/h2-5H,1H3,(H,6,7,8)/b3-2-.
What are the key properties of N-[[(Z)-prop-1-enyl]iminomethyl]formamide?
N-[[(Z)-prop-1-enyl]iminomethyl]formamide has a molecular weight of 112.13 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-prop-1-enyl]iminomethyl]formamide is sourced from PubChem (CID 145377941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).