(1-heptylpyrrol-3-yl)methanol

C12H21NO — CID 66399953

IUPAC(1-heptylpyrrol-3-yl)methanol
SMILESCCCCCCCn1ccc(CO)c1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-8-13-9-7-12(10-13)11-14/h7,9-10,14H,2-6,8,11H2,1H3
InChIKeyGYTRIMSDKWTJMR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.95
Rot. Bonds7

About (1-heptylpyrrol-3-yl)methanol

(1-heptylpyrrol-3-yl)methanol (PubChem CID 66399953) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1-heptylpyrrol-3-yl)methanol.

Molecular Properties

Compound Name(1-heptylpyrrol-3-yl)methanol
PubChem CID66399953
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1-heptylpyrrol-3-yl)methanol
SMILESCCCCCCCn1ccc(CO)c1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-8-13-9-7-12(10-13)11-14/h7,9-10,14H,2-6,8,11H2,1H3
InChIKeyGYTRIMSDKWTJMR-UHFFFAOYSA-N
XLogP2.95
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol
CID 107705762
3-propyl-1-undecylpyrrole;hydrochloride
CID 175874758
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
1-dodecyl-3-propylpyrrole;formonitrile
CID 175849627
5-[3-(hydroxymethyl)pyrrol-1-yl]pentanenitrile
CID 66398063
methanesulfonic acid;1-pentyl-3-propylpyrrole
CID 175874652
[1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol
CID 66400171
3-butyl-1-nonylpyrrole;trifluoromethanesulfonic acid
CID 175875008
1,3-dibutylpyrrole;hydrochloride
CID 175874933
3-dodecyl-1-ethylpyrrole
CID 66960014
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanol
CID 113427301
(1-pent-3-ynylpyrrol-3-yl)methanol
CID 104809199

Frequently Asked Questions

What is the IUPAC name of (1-heptylpyrrol-3-yl)methanol?
The IUPAC name of (1-heptylpyrrol-3-yl)methanol (CID 66399953) is (1-heptylpyrrol-3-yl)methanol.
What is the SMILES notation for (1-heptylpyrrol-3-yl)methanol?
The canonical SMILES for (1-heptylpyrrol-3-yl)methanol is CCCCCCCn1ccc(CO)c1.
What is the InChIKey of (1-heptylpyrrol-3-yl)methanol?
The InChIKey is GYTRIMSDKWTJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-6-8-13-9-7-12(10-13)11-14/h7,9-10,14H,2-6,8,11H2,1H3.
What are the key properties of (1-heptylpyrrol-3-yl)methanol?
(1-heptylpyrrol-3-yl)methanol has a molecular weight of 195.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-heptylpyrrol-3-yl)methanol is sourced from PubChem (CID 66399953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).