[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone

C11H12BrNO — CID 79097088

IUPAC[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone
SMILESC=C(Br)Cn1ccc(C(=O)C2CC2)c1
InChIInChI=1S/C11H12BrNO/c1-8(12)6-13-5-4-10(7-13)11(14)9-2-3-9/h4-5,7,9H,1-3,6H2
InChIKeyHURQQIYWXWQEEW-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.99
Rot. Bonds4

About [1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone

[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone (PubChem CID 79097088) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is [1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone
PubChem CID79097088
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone
SMILESC=C(Br)Cn1ccc(C(=O)C2CC2)c1
InChIInChI=1S/C11H12BrNO/c1-8(12)6-13-5-4-10(7-13)11(14)9-2-3-9/h4-5,7,9H,1-3,6H2
InChIKeyHURQQIYWXWQEEW-UHFFFAOYSA-N
XLogP2.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone?
The IUPAC name of [1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone (CID 79097088) is [1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone?
The canonical SMILES for [1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone is C=C(Br)Cn1ccc(C(=O)C2CC2)c1.
What is the InChIKey of [1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone?
The InChIKey is HURQQIYWXWQEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-8(12)6-13-5-4-10(7-13)11(14)9-2-3-9/h4-5,7,9H,1-3,6H2.
What are the key properties of [1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone?
[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone has a molecular weight of 254.13 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 79097088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).