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

C9H14N2O — CID 116943238

IUPAC[1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol
SMILESNC(c1cc[nH]c1)C1(CO)CC1
InChIInChI=1S/C9H14N2O/c10-8(7-1-4-11-5-7)9(6-12)2-3-9/h1,4-5,8,11-12H,2-3,6,10H2
InChIKeyPPOOMICTPMOCPQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.79
Rot. Bonds3

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

[1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol (PubChem CID 116943238) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is [1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol
PubChem CID116943238
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name[1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol
SMILESNC(c1cc[nH]c1)C1(CO)CC1
InChIInChI=1S/C9H14N2O/c10-8(7-1-4-11-5-7)9(6-12)2-3-9/h1,4-5,8,11-12H,2-3,6,10H2
InChIKeyPPOOMICTPMOCPQ-UHFFFAOYSA-N
XLogP0.79
TPSA62.04 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 ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol
CID 116944203
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976
[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol
CID 116944152
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
CID 116943274
[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol
CID 116944221
(3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile
CID 130648574
2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid
CID 116942235
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
[1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol
CID 116943233
[1-[amino(3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropyl]methanol
CID 116943281
3-amino-1-(1H-pyrrol-3-yl)propan-1-ol
CID 82280085
1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821259

Frequently Asked Questions

What is the IUPAC name of [1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol (CID 116943238) is [1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol is NC(c1cc[nH]c1)C1(CO)CC1.
What is the InChIKey of [1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol?
The InChIKey is PPOOMICTPMOCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-8(7-1-4-11-5-7)9(6-12)2-3-9/h1,4-5,8,11-12H,2-3,6,10H2.
What are the key properties of [1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol?
[1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol has a molecular weight of 166.22 g/mol, XLogP of 0.79, 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]cyclopropyl]methanol is sourced from PubChem (CID 116943238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).