N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide

C10H14BrNO — CID 15815849

IUPACN-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide
SMILESC=C(Br)CN(CCC#CC)C(C)=O
InChIInChI=1S/C10H14BrNO/c1-4-5-6-7-12(10(3)13)8-9(2)11/h2,6-8H2,1,3H3
InChIKeyTXZVNCDNQODNBR-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.16
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide

N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide (PubChem CID 15815849) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide
PubChem CID15815849
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC NameN-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide
SMILESC=C(Br)CN(CCC#CC)C(C)=O
InChIInChI=1S/C10H14BrNO/c1-4-5-6-7-12(10(3)13)8-9(2)11/h2,6-8H2,1,3H3
InChIKeyTXZVNCDNQODNBR-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoprop-2-enyl)-N-but-2-ynylbenzamide
CID 11098300
sodium hex-4-ynoate
CID 141345346
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
2-bromoprop-2-enyl(methyl)carbamic acid
CID 118140794
N-(3-bromo-2-oxopropyl)-N-propylacetamide
CID 104701106
2-[acetyl(propyl)amino]acetic acid
CID 23279438
methyl N-(2-bromoprop-2-enyl)-N-(2-oxoethyl)carbamate
CID 19738529
tert-butyl N-(2-bromoprop-2-enyl)-N-ethylcarbamate
CID 88586315
N-methyl-N-(2-methylprop-2-enyl)acetamide
CID 115968492
(4E)-2-bromo-4-ethyldeca-1,4-dien-8-yne
CID 15357969
acetic acid;oct-2-yne
CID 175336936
N,N-bis(3-tritiopropyl)acetamide
CID 163679151

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide (CID 15815849) is N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide is C=C(Br)CN(CCC#CC)C(C)=O.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide?
The InChIKey is TXZVNCDNQODNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-4-5-6-7-12(10(3)13)8-9(2)11/h2,6-8H2,1,3H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide?
N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide has a molecular weight of 244.13 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N-pent-3-ynylacetamide is sourced from PubChem (CID 15815849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).