[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol

C10H16N2O — CID 116944203

IUPAC[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol
SMILESNC(c1cc[nH]c1)C1(CO)CCC1
InChIInChI=1S/C10H16N2O/c11-9(8-2-5-12-6-8)10(7-13)3-1-4-10/h2,5-6,9,12-13H,1,3-4,7,11H2
InChIKeyDCAOTVORQTVACI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.18
Rot. Bonds3

About [1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol

[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol (PubChem CID 116944203) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is [1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol
PubChem CID116944203
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol
SMILESNC(c1cc[nH]c1)C1(CO)CCC1
InChIInChI=1S/C10H16N2O/c11-9(8-2-5-12-6-8)10(7-13)3-1-4-10/h2,5-6,9,12-13H,1,3-4,7,11H2
InChIKeyDCAOTVORQTVACI-UHFFFAOYSA-N
XLogP1.18
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol
CID 116943238
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976
[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol
CID 116944152
[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol
CID 116944221
[1-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutyl]methanol
CID 116944258
[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
CID 116944249
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
CID 116944232
[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
CID 116944240
[1-[amino(pyridin-2-yl)methyl]cyclobutyl]methanol
CID 116944252
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116958953
[1-[amino-(2-methoxy-5-propan-2-ylphenyl)methyl]cyclobutyl]methanol
CID 116944173

Frequently Asked Questions

What is the IUPAC name of [1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol (CID 116944203) is [1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol is NC(c1cc[nH]c1)C1(CO)CCC1.
What is the InChIKey of [1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol?
The InChIKey is DCAOTVORQTVACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-9(8-2-5-12-6-8)10(7-13)3-1-4-10/h2,5-6,9,12-13H,1,3-4,7,11H2.
What are the key properties of [1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol?
[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol has a molecular weight of 180.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116944203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).