N-(3-cyanopropyl)but-2-ynamide

C8H10N2O — CID 130918641

IUPACN-(3-cyanopropyl)but-2-ynamide
SMILESCC#CC(=O)NCCCC#N
InChIInChI=1S/C8H10N2O/c1-2-5-8(11)10-7-4-3-6-9/h3-4,7H2,1H3,(H,10,11)
InChIKeyJPLIGQFHRRBLOD-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.43
Rot. Bonds3

About N-(3-cyanopropyl)but-2-ynamide

N-(3-cyanopropyl)but-2-ynamide (PubChem CID 130918641) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-(3-cyanopropyl)but-2-ynamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)but-2-ynamide
PubChem CID130918641
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-(3-cyanopropyl)but-2-ynamide
SMILESCC#CC(=O)NCCCC#N
InChIInChI=1S/C8H10N2O/c1-2-5-8(11)10-7-4-3-6-9/h3-4,7H2,1H3,(H,10,11)
InChIKeyJPLIGQFHRRBLOD-UHFFFAOYSA-N
XLogP0.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pent-3-ynylbut-2-ynamide
CID 107992893
3-cyanopropylurea
CID 62667023
2-amino-N-(3-cyanopropyl)propanamide
CID 62666254
N-[2-(carbamoylamino)ethyl]but-2-ynamide
CID 130637362
2-amino-N-(3-cyanopropyl)acetamide
CID 62666255
3-(but-2-ynoylamino)propanoic acid
CID 107986385
6-(but-2-ynoylamino)hexanoic acid
CID 107986364
2-amino-N-(3-cyanopropyl)butanamide
CID 62666454
N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide
CID 107990806
tert-butyl N-[3-(but-2-ynoylamino)propyl]carbamate
CID 178120004
N-(3-cyanopropyl)-2-ethoxyacetamide
CID 62668485
N-(3-cyanopropyl)-2-methylcyclopropane-1-carboxamide
CID 62667763

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)but-2-ynamide?
The IUPAC name of N-(3-cyanopropyl)but-2-ynamide (CID 130918641) is N-(3-cyanopropyl)but-2-ynamide.
What is the SMILES notation for N-(3-cyanopropyl)but-2-ynamide?
The canonical SMILES for N-(3-cyanopropyl)but-2-ynamide is CC#CC(=O)NCCCC#N.
What is the InChIKey of N-(3-cyanopropyl)but-2-ynamide?
The InChIKey is JPLIGQFHRRBLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-2-5-8(11)10-7-4-3-6-9/h3-4,7H2,1H3,(H,10,11).
What are the key properties of N-(3-cyanopropyl)but-2-ynamide?
N-(3-cyanopropyl)but-2-ynamide has a molecular weight of 150.18 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)but-2-ynamide is sourced from PubChem (CID 130918641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).