4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide

C15H19BrN2O — CID 106174089

IUPAC4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NCCC1=CCCC1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H19BrN2O/c16-12-9-14(18(10-12)13-5-6-13)15(19)17-8-7-11-3-1-2-4-11/h3,9-10,13H,1-2,4-8H2,(H,17,19)
InChIKeySEVYWHSGGMQTMO-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.82
Rot. Bonds5

About 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide

4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 106174089) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide
PubChem CID106174089
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NCCC1=CCCC1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H19BrN2O/c16-12-9-14(18(10-12)13-5-6-13)15(19)17-8-7-11-3-1-2-4-11/h3,9-10,13H,1-2,4-8H2,(H,17,19)
InChIKeySEVYWHSGGMQTMO-UHFFFAOYSA-N
XLogP3.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide
CID 61018427
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098
4-bromo-1-cyclopropyl-N-[2-(dimethylcarbamoylamino)ethyl]pyrrole-2-carboxamide
CID 83121332
4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
CID 43641446
N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106175020
4-bromo-1-cyclopropyl-N-(2-phenylsulfanylethyl)pyrrole-2-carboxamide
CID 60977099
4-bromo-1-cyclopropyl-N-(2,2-dimethoxyethyl)pyrrole-2-carboxamide
CID 61248178
4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
CID 54905662
4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 63524255
3-bromo-5-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 106173076
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide
CID 103842230

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide (CID 106174089) is 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide is O=C(NCCC1=CCCC1)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is SEVYWHSGGMQTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-12-9-14(18(10-12)13-5-6-13)15(19)17-8-7-11-3-1-2-4-11/h3,9-10,13H,1-2,4-8H2,(H,17,19).
What are the key properties of 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide?
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 323.23 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 106174089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).