N-[(Z)-1-cyanoprop-1-enyl]formamide

C5H6N2O — CID 21160166

IUPACN-[(Z)-1-cyanoprop-1-enyl]formamide
SMILESC/C=C(/C#N)NC=O
InChIInChI=1S/C5H6N2O/c1-2-5(3-6)7-4-8/h2,4H,1H3,(H,7,8)/b5-2-
InChIKeyLMZRYPBGVWQJRM-DJWKRKHSSA-N
MW110.12 g/mol
LogP0.16
Rot. Bonds2

About N-[(Z)-1-cyanoprop-1-enyl]formamide

N-[(Z)-1-cyanoprop-1-enyl]formamide (PubChem CID 21160166) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is N-[(Z)-1-cyanoprop-1-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-1-cyanoprop-1-enyl]formamide
PubChem CID21160166
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC NameN-[(Z)-1-cyanoprop-1-enyl]formamide
SMILESC/C=C(/C#N)NC=O
InChIInChI=1S/C5H6N2O/c1-2-5(3-6)7-4-8/h2,4H,1H3,(H,7,8)/b5-2-
InChIKeyLMZRYPBGVWQJRM-DJWKRKHSSA-N
XLogP0.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;cyanic acid;2-methylpropane
CID 142596077
N-[(3E,6Z)-octa-3,6-dien-1-yn-3-yl]formamide
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N-[(2E,4E)-5-cyanohepta-2,4,6-trien-2-yl]formamide
CID 163488499
acetaldehyde;acetonitrile
CID 86033370
(Z)-2-iodobut-2-enenitrile
CID 10845441
N-[1-(azanylidyne(113C)methyl)ethyl]formamide
CID 11007825
acetaldehyde;cyanoboronic acid
CID 87638101
N-carbamoylformamide;hydrate
CID 174813959
octadecakis(acetonitrile);formic acid
CID 173132869
N-[(E)-1-fluorobut-2-en-2-yl]formamide
CID 143269554
N-(dimethylcarbamoyl)formamide
CID 21483017
(E)-3-cyanopent-3-enoyl chloride
CID 141466251

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-cyanoprop-1-enyl]formamide?
The IUPAC name of N-[(Z)-1-cyanoprop-1-enyl]formamide (CID 21160166) is N-[(Z)-1-cyanoprop-1-enyl]formamide.
What is the SMILES notation for N-[(Z)-1-cyanoprop-1-enyl]formamide?
The canonical SMILES for N-[(Z)-1-cyanoprop-1-enyl]formamide is C/C=C(/C#N)NC=O.
What is the InChIKey of N-[(Z)-1-cyanoprop-1-enyl]formamide?
The InChIKey is LMZRYPBGVWQJRM-DJWKRKHSSA-N. The full InChI is InChI=1S/C5H6N2O/c1-2-5(3-6)7-4-8/h2,4H,1H3,(H,7,8)/b5-2-.
What are the key properties of N-[(Z)-1-cyanoprop-1-enyl]formamide?
N-[(Z)-1-cyanoprop-1-enyl]formamide has a molecular weight of 110.12 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-cyanoprop-1-enyl]formamide is sourced from PubChem (CID 21160166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).