N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine

C10H12BrNS — CID 115381587

IUPACN-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine
SMILESBrc1ccsc1/C=C/CNC1CC1
InChIInChI=1S/C10H12BrNS/c11-9-5-7-13-10(9)2-1-6-12-8-3-4-8/h1-2,5,7-8,12H,3-4,6H2/b2-1+
InChIKeyQZUXAUBSGPPOAQ-OWOJBTEDSA-N
MW258.18 g/mol
LogP3.28
Rot. Bonds4

About N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine

N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine (PubChem CID 115381587) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine
PubChem CID115381587
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC NameN-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine
SMILESBrc1ccsc1/C=C/CNC1CC1
InChIInChI=1S/C10H12BrNS/c11-9-5-7-13-10(9)2-1-6-12-8-3-4-8/h1-2,5,7-8,12H,3-4,6H2/b2-1+
InChIKeyQZUXAUBSGPPOAQ-OWOJBTEDSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine (CID 115381587) is N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine is Brc1ccsc1/C=C/CNC1CC1.
What is the InChIKey of N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine?
The InChIKey is QZUXAUBSGPPOAQ-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H12BrNS/c11-9-5-7-13-10(9)2-1-6-12-8-3-4-8/h1-2,5,7-8,12H,3-4,6H2/b2-1+.
What are the key properties of N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine?
N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine has a molecular weight of 258.18 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(3-bromothiophen-2-yl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 115381587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).