[1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol

C10H18BrNO — CID 115359706

IUPAC[1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol
SMILESC=C(Br)CNCC1(CO)CCCC1
InChIInChI=1S/C10H18BrNO/c1-9(11)6-12-7-10(8-13)4-2-3-5-10/h12-13H,1-8H2
InChIKeyQXRCLIBPRJKYCD-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.04
Rot. Bonds5

About [1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol

[1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol (PubChem CID 115359706) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is [1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol
PubChem CID115359706
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name[1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol
SMILESC=C(Br)CNCC1(CO)CCCC1
InChIInChI=1S/C10H18BrNO/c1-9(11)6-12-7-10(8-13)4-2-3-5-10/h12-13H,1-8H2
InChIKeyQXRCLIBPRJKYCD-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol (CID 115359706) is [1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol is C=C(Br)CNCC1(CO)CCCC1.
What is the InChIKey of [1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol?
The InChIKey is QXRCLIBPRJKYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-9(11)6-12-7-10(8-13)4-2-3-5-10/h12-13H,1-8H2.
What are the key properties of [1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol?
[1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol has a molecular weight of 248.16 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromoprop-2-enylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 115359706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).