(2-ethyl-1H-pyrrol-3-yl)methanol

C7H11NO — CID 174935914

IUPAC(2-ethyl-1H-pyrrol-3-yl)methanol
SMILESCCc1[nH]ccc1CO
InChIInChI=1S/C7H11NO/c1-2-7-6(5-9)3-4-8-7/h3-4,8-9H,2,5H2,1H3
InChIKeyDKMMLCYXRLBQBT-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.07
Rot. Bonds2

About (2-ethyl-1H-pyrrol-3-yl)methanol

(2-ethyl-1H-pyrrol-3-yl)methanol (PubChem CID 174935914) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2-ethyl-1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-1H-pyrrol-3-yl)methanol
PubChem CID174935914
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2-ethyl-1H-pyrrol-3-yl)methanol
SMILESCCc1[nH]ccc1CO
InChIInChI=1S/C7H11NO/c1-2-7-6(5-9)3-4-8-7/h3-4,8-9H,2,5H2,1H3
InChIKeyDKMMLCYXRLBQBT-UHFFFAOYSA-N
XLogP1.07
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4-triethyl-5-(3-ethyl-1H-pyrrol-2-yl)-1H-pyrrole
CID 54082762
2-ethenyl-3-ethyl-1H-pyrrole
CID 144842515
2-propyl-1H-pyrrol-3-ol
CID 70540256
(2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 163953336
2,3-dihexadecyl-1H-pyrrole
CID 175695832
2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium
CID 174567277
2-(3-ethyl-1H-pyrrol-2-yl)phenol
CID 70301806
ethane;4-ethyl-3-methyl-1H-pyridin-2-one
CID 155712799
[3-[(3-fluorophenyl)methyl]-1H-pyrrol-2-yl]methanol
CID 54523279
cyclopenta-1,3-diene;2,3-dipropyl-1H-pyrrole;ruthenium
CID 174567261
(4-amino-1H-indol-7-yl)methanol
CID 123789224
2-fluoro-3-propyl-1H-pyrrole
CID 163361919

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1H-pyrrol-3-yl)methanol?
The IUPAC name of (2-ethyl-1H-pyrrol-3-yl)methanol (CID 174935914) is (2-ethyl-1H-pyrrol-3-yl)methanol.
What is the SMILES notation for (2-ethyl-1H-pyrrol-3-yl)methanol?
The canonical SMILES for (2-ethyl-1H-pyrrol-3-yl)methanol is CCc1[nH]ccc1CO.
What is the InChIKey of (2-ethyl-1H-pyrrol-3-yl)methanol?
The InChIKey is DKMMLCYXRLBQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7-6(5-9)3-4-8-7/h3-4,8-9H,2,5H2,1H3.
What are the key properties of (2-ethyl-1H-pyrrol-3-yl)methanol?
(2-ethyl-1H-pyrrol-3-yl)methanol has a molecular weight of 125.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 174935914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).