N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide

C12H19BrN2O2 — CID 115594360

IUPACN-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide
SMILESC=C(Br)CNC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C12H19BrN2O2/c1-9(13)8-15-11(16)6-7-14-12(17)10-4-2-3-5-10/h10H,1-8H2,(H,14,17)(H,15,16)
InChIKeyCICFTXALWSYLPY-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.71
Rot. Bonds6

About N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide

N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 115594360) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide
PubChem CID115594360
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC NameN-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide
SMILESC=C(Br)CNC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C12H19BrN2O2/c1-9(13)8-15-11(16)6-7-14-12(17)10-4-2-3-5-10/h10H,1-8H2,(H,14,17)(H,15,16)
InChIKeyCICFTXALWSYLPY-UHFFFAOYSA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide (CID 115594360) is N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide is C=C(Br)CNC(=O)CCNC(=O)C1CCCC1.
What is the InChIKey of N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is CICFTXALWSYLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-9(13)8-15-11(16)6-7-14-12(17)10-4-2-3-5-10/h10H,1-8H2,(H,14,17)(H,15,16).
What are the key properties of N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide?
N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 303.20 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 115594360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).