ethane;N-pent-2-ynylpropanamide

C10H19NO — CID 169175409

IUPACethane;N-pent-2-ynylpropanamide
SMILESCC.CCC#CCNC(=O)CC
InChIInChI=1S/C8H13NO.C2H6/c1-3-5-6-7-9-8(10)4-2;1-2/h3-4,7H2,1-2H3,(H,9,10);1-2H3
InChIKeyQMZVKIXQSIBRBQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds2

About ethane;N-pent-2-ynylpropanamide

ethane;N-pent-2-ynylpropanamide (PubChem CID 169175409) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;N-pent-2-ynylpropanamide.

Molecular Properties

Compound Nameethane;N-pent-2-ynylpropanamide
PubChem CID169175409
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;N-pent-2-ynylpropanamide
SMILESCC.CCC#CCNC(=O)CC
InChIInChI=1S/C8H13NO.C2H6/c1-3-5-6-7-9-8(10)4-2;1-2/h3-4,7H2,1-2H3,(H,9,10);1-2H3
InChIKeyQMZVKIXQSIBRBQ-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexa-2,4-diynyl)propanamide
CID 25140231
3-methyl-N-pent-2-ynylbutanamide;molecular hydrogen
CID 153366158
ethanamine;ethane;N-ethylpropanamide
CID 157433415
acetylene;N-ethylpropanamide
CID 143477358
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide
CID 129308455
N-(2-bromopropyl)propanamide
CID 87559070
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
N-(2-oxopropyl)propanamide
CID 23550155
methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide
CID 158389434
ethane;N-(2-methylbutyl)propanamide
CID 177054062
ethane;N-undecylpropanamide
CID 155706114

Frequently Asked Questions

What is the IUPAC name of ethane;N-pent-2-ynylpropanamide?
The IUPAC name of ethane;N-pent-2-ynylpropanamide (CID 169175409) is ethane;N-pent-2-ynylpropanamide.
What is the SMILES notation for ethane;N-pent-2-ynylpropanamide?
The canonical SMILES for ethane;N-pent-2-ynylpropanamide is CC.CCC#CCNC(=O)CC.
What is the InChIKey of ethane;N-pent-2-ynylpropanamide?
The InChIKey is QMZVKIXQSIBRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-3-5-6-7-9-8(10)4-2;1-2/h3-4,7H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;N-pent-2-ynylpropanamide?
ethane;N-pent-2-ynylpropanamide has a molecular weight of 169.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-pent-2-ynylpropanamide is sourced from PubChem (CID 169175409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).