2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C10H17BrN2 — CID 130631456

IUPAC2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESC=C(Br)CN1CC2CCC(N)C2C1
InChIInChI=1S/C10H17BrN2/c1-7(11)4-13-5-8-2-3-10(12)9(8)6-13/h8-10H,1-6,12H2
InChIKeyLAHIKMKXHRFSLY-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.56
Rot. Bonds2

About 2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 130631456) has the molecular formula C10H17BrN2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID130631456
Molecular FormulaC10H17BrN2
Molecular Weight245.16 g/mol
Exact Mass244.06
IUPAC Name2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESC=C(Br)CN1CC2CCC(N)C2C1
InChIInChI=1S/C10H17BrN2/c1-7(11)4-13-5-8-2-3-10(12)9(8)6-13/h8-10H,1-6,12H2
InChIKeyLAHIKMKXHRFSLY-UHFFFAOYSA-N
XLogP1.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of 2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 130631456) is 2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for 2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for 2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is C=C(Br)CN1CC2CCC(N)C2C1.
What is the InChIKey of 2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is LAHIKMKXHRFSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2/c1-7(11)4-13-5-8-2-3-10(12)9(8)6-13/h8-10H,1-6,12H2.
What are the key properties of 2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 245.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 130631456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).