N-[(Z)-3,3-diaminoprop-1-enyl]formamide

C4H9N3O — CID 89234839

IUPACN-[(Z)-3,3-diaminoprop-1-enyl]formamide
SMILESNC(N)/C=C\NC=O
InChIInChI=1S/C4H9N3O/c5-4(6)1-2-7-3-8/h1-4H,5-6H2,(H,7,8)/b2-1-
InChIKeyMZZJUJNPSOKOCV-UPHRSURJSA-N
MW115.14 g/mol
LogP-1.51
Rot. Bonds3

About N-[(Z)-3,3-diaminoprop-1-enyl]formamide

N-[(Z)-3,3-diaminoprop-1-enyl]formamide (PubChem CID 89234839) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is N-[(Z)-3,3-diaminoprop-1-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-3,3-diaminoprop-1-enyl]formamide
PubChem CID89234839
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC NameN-[(Z)-3,3-diaminoprop-1-enyl]formamide
SMILESNC(N)/C=C\NC=O
InChIInChI=1S/C4H9N3O/c5-4(6)1-2-7-3-8/h1-4H,5-6H2,(H,7,8)/b2-1-
InChIKeyMZZJUJNPSOKOCV-UPHRSURJSA-N
XLogP-1.51
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,3-diaminoprop-1-enyl]formamide?
The IUPAC name of N-[(Z)-3,3-diaminoprop-1-enyl]formamide (CID 89234839) is N-[(Z)-3,3-diaminoprop-1-enyl]formamide.
What is the SMILES notation for N-[(Z)-3,3-diaminoprop-1-enyl]formamide?
The canonical SMILES for N-[(Z)-3,3-diaminoprop-1-enyl]formamide is NC(N)/C=C\NC=O.
What is the InChIKey of N-[(Z)-3,3-diaminoprop-1-enyl]formamide?
The InChIKey is MZZJUJNPSOKOCV-UPHRSURJSA-N. The full InChI is InChI=1S/C4H9N3O/c5-4(6)1-2-7-3-8/h1-4H,5-6H2,(H,7,8)/b2-1-.
What are the key properties of N-[(Z)-3,3-diaminoprop-1-enyl]formamide?
N-[(Z)-3,3-diaminoprop-1-enyl]formamide has a molecular weight of 115.14 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-diaminoprop-1-enyl]formamide is sourced from PubChem (CID 89234839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).