3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol

C9H14N2O — CID 66408120

IUPAC3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol
SMILESOC1CC(NCc2cc[nH]c2)C1
InChIInChI=1S/C9H14N2O/c12-9-3-8(4-9)11-6-7-1-2-10-5-7/h1-2,5,8-12H,3-4,6H2
InChIKeyLHTMFCFHXGFNIQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.63
Rot. Bonds3

About 3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol

3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol (PubChem CID 66408120) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol
PubChem CID66408120
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol
SMILESOC1CC(NCc2cc[nH]c2)C1
InChIInChI=1S/C9H14N2O/c12-9-3-8(4-9)11-6-7-1-2-10-5-7/h1-2,5,8-12H,3-4,6H2
InChIKeyLHTMFCFHXGFNIQ-UHFFFAOYSA-N
XLogP0.63
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrrol-3-ylmethyl)cyclobutanamine
CID 66409637
N-(1H-pyrrol-3-ylmethyl)cyclopent-3-en-1-amine
CID 115696355
1-methyl-N-(1H-pyrrol-3-ylmethyl)azetidin-3-amine
CID 131043183
4-(1H-pyrrol-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 115149093
N-(1H-pyrrol-3-ylmethyl)bicyclo[4.1.0]heptan-7-amine
CID 130658457
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
N-(1H-pyrrol-3-ylmethyl)oxan-3-amine
CID 66409421
1,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-amine
CID 130692968
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-(1H-pyrrol-3-ylmethylamino)cyclopentan-1-ol
CID 167832510
2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine
CID 130628513
2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770
tert-butyl N-[2-(1H-pyrrol-3-ylmethylamino)cyclopropyl]carbamate
CID 107237802

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol?
The IUPAC name of 3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol (CID 66408120) is 3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol.
What is the SMILES notation for 3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol?
The canonical SMILES for 3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol is OC1CC(NCc2cc[nH]c2)C1.
What is the InChIKey of 3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol?
The InChIKey is LHTMFCFHXGFNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-9-3-8(4-9)11-6-7-1-2-10-5-7/h1-2,5,8-12H,3-4,6H2.
What are the key properties of 3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol?
3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-3-ylmethylamino)cyclobutan-1-ol is sourced from PubChem (CID 66408120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).