(2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate

C12H18N2O4 — CID 57242899

IUPAC(2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate
SMILESO=C(NCC1CCCCC1)On1c(O)ccc1O
InChIInChI=1S/C12H18N2O4/c15-10-6-7-11(16)14(10)18-12(17)13-8-9-4-2-1-3-5-9/h6-7,9,15-16H,1-5,8H2,(H,13,17)
InChIKeyHKSPOIPPFYMVNU-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.62
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate

(2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate (PubChem CID 57242899) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate
PubChem CID57242899
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate
SMILESO=C(NCC1CCCCC1)On1c(O)ccc1O
InChIInChI=1S/C12H18N2O4/c15-10-6-7-11(16)14(10)18-12(17)13-8-9-4-2-1-3-5-9/h6-7,9,15-16H,1-5,8H2,(H,13,17)
InChIKeyHKSPOIPPFYMVNU-UHFFFAOYSA-N
XLogP1.62
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate (CID 57242899) is (2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate is O=C(NCC1CCCCC1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate?
The InChIKey is HKSPOIPPFYMVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-10-6-7-11(16)14(10)18-12(17)13-8-9-4-2-1-3-5-9/h6-7,9,15-16H,1-5,8H2,(H,13,17).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate?
(2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate has a molecular weight of 254.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) N-(cyclohexylmethyl)carbamate is sourced from PubChem (CID 57242899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).