N-(3-aminopropyl)-2-cyano-N-formylacetamide

C7H11N3O2 — CID 108814613

IUPACN-(3-aminopropyl)-2-cyano-N-formylacetamide
SMILESN#CCC(=O)N(C=O)CCCN
InChIInChI=1S/C7H11N3O2/c8-3-1-5-10(6-11)7(12)2-4-9/h6H,1-3,5,8H2
InChIKeyFPNBMAMRIBOPCU-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.77
Rot. Bonds5

About N-(3-aminopropyl)-2-cyano-N-formylacetamide

N-(3-aminopropyl)-2-cyano-N-formylacetamide (PubChem CID 108814613) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-cyano-N-formylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-cyano-N-formylacetamide
PubChem CID108814613
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(3-aminopropyl)-2-cyano-N-formylacetamide
SMILESN#CCC(=O)N(C=O)CCCN
InChIInChI=1S/C7H11N3O2/c8-3-1-5-10(6-11)7(12)2-4-9/h6H,1-3,5,8H2
InChIKeyFPNBMAMRIBOPCU-UHFFFAOYSA-N
XLogP-0.77
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-cyano-N-formylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-cyano-N-formylacetamide (CID 108814613) is N-(3-aminopropyl)-2-cyano-N-formylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-cyano-N-formylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-cyano-N-formylacetamide is N#CCC(=O)N(C=O)CCCN.
What is the InChIKey of N-(3-aminopropyl)-2-cyano-N-formylacetamide?
The InChIKey is FPNBMAMRIBOPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-3-1-5-10(6-11)7(12)2-4-9/h6H,1-3,5,8H2.
What are the key properties of N-(3-aminopropyl)-2-cyano-N-formylacetamide?
N-(3-aminopropyl)-2-cyano-N-formylacetamide has a molecular weight of 169.18 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-cyano-N-formylacetamide is sourced from PubChem (CID 108814613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).