N-pent-3-ynylbut-2-ynamide

C9H11NO — CID 107992893

IUPACN-pent-3-ynylbut-2-ynamide
SMILESCC#CCCNC(=O)C#CC
InChIInChI=1S/C9H11NO/c1-3-5-6-8-10-9(11)7-4-2/h6,8H2,1-2H3,(H,10,11)
InChIKeyILNQLTVCVVTCBM-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.54
Rot. Bonds2

About N-pent-3-ynylbut-2-ynamide

N-pent-3-ynylbut-2-ynamide (PubChem CID 107992893) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-pent-3-ynylbut-2-ynamide.

Molecular Properties

Compound NameN-pent-3-ynylbut-2-ynamide
PubChem CID107992893
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-pent-3-ynylbut-2-ynamide
SMILESCC#CCCNC(=O)C#CC
InChIInChI=1S/C9H11NO/c1-3-5-6-8-10-9(11)7-4-2/h6,8H2,1-2H3,(H,10,11)
InChIKeyILNQLTVCVVTCBM-UHFFFAOYSA-N
XLogP0.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ynylprop-2-ynamide
CID 104581196
N-(3-cyanopropyl)but-2-ynamide
CID 130918641
N-[2-(carbamoylamino)ethyl]but-2-ynamide
CID 130637362
1-methyl-3-pent-3-ynylurea
CID 116645214
2-chloro-N-pent-3-ynylacetamide
CID 116643290
3-(but-2-ynoylamino)propanoic acid
CID 107986385
6-(but-2-ynoylamino)hexanoic acid
CID 107986364
(2R)-2-amino-N-pent-3-ynylbutanamide
CID 104891645
2-hydroxyethyl N-pent-3-ynylcarbamate
CID 116645461
2-cyclopropyl-N-pent-3-ynylacetamide
CID 104581149
N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide
CID 107990806
2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide
CID 116644023

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynylbut-2-ynamide?
The IUPAC name of N-pent-3-ynylbut-2-ynamide (CID 107992893) is N-pent-3-ynylbut-2-ynamide.
What is the SMILES notation for N-pent-3-ynylbut-2-ynamide?
The canonical SMILES for N-pent-3-ynylbut-2-ynamide is CC#CCCNC(=O)C#CC.
What is the InChIKey of N-pent-3-ynylbut-2-ynamide?
The InChIKey is ILNQLTVCVVTCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-5-6-8-10-9(11)7-4-2/h6,8H2,1-2H3,(H,10,11).
What are the key properties of N-pent-3-ynylbut-2-ynamide?
N-pent-3-ynylbut-2-ynamide has a molecular weight of 149.19 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynylbut-2-ynamide is sourced from PubChem (CID 107992893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).