N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide

C5H9N3O — CID 136777630

IUPACN-(N'-prop-1-en-2-ylcarbamimidoyl)formamide
SMILESC=C(C)/N=C(\N)NC=O
InChIInChI=1S/C5H9N3O/c1-4(2)8-5(6)7-3-9/h3H,1H2,2H3,(H3,6,7,8,9)
InChIKeyAXDSALVQVCDKAP-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.42
Rot. Bonds2

About N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide

N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide (PubChem CID 136777630) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide.

Molecular Properties

Compound NameN-(N'-prop-1-en-2-ylcarbamimidoyl)formamide
PubChem CID136777630
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN-(N'-prop-1-en-2-ylcarbamimidoyl)formamide
SMILESC=C(C)/N=C(\N)NC=O
InChIInChI=1S/C5H9N3O/c1-4(2)8-5(6)7-3-9/h3H,1H2,2H3,(H3,6,7,8,9)
InChIKeyAXDSALVQVCDKAP-UHFFFAOYSA-N
XLogP-0.42
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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-(N'-prop-1-en-2-ylcarbamimidoyl)formamide?
The IUPAC name of N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide (CID 136777630) is N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide.
What is the SMILES notation for N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide?
The canonical SMILES for N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide is C=C(C)/N=C(\N)NC=O.
What is the InChIKey of N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide?
The InChIKey is AXDSALVQVCDKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(2)8-5(6)7-3-9/h3H,1H2,2H3,(H3,6,7,8,9).
What are the key properties of N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide?
N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide has a molecular weight of 127.15 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-prop-1-en-2-ylcarbamimidoyl)formamide is sourced from PubChem (CID 136777630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).