formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol

C8H21N3O3 — CID 176952843

IUPACformic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol
SMILESCNCCN.O=CO.OC1CCNC1
InChIInChI=1S/C4H9NO.C3H10N2.CH2O2/c6-4-1-2-5-3-4;1-5-3-2-4;2-1-3/h4-6H,1-3H2;5H,2-4H2,1H3;1H,(H,2,3)
InChIKeyLEHXIZNQRNHNPS-UHFFFAOYSA-N
MW207.27 g/mol
LogP-1.79
Rot. Bonds2

About formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol

formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol (PubChem CID 176952843) has the molecular formula C8H21N3O3 and a molecular weight of 207.27 g/mol. Its IUPAC name is formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol.

Molecular Properties

Compound Nameformic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol
PubChem CID176952843
Molecular FormulaC8H21N3O3
Molecular Weight207.27 g/mol
Exact Mass207.16
IUPAC Nameformic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol
SMILESCNCCN.O=CO.OC1CCNC1
InChIInChI=1S/C4H9NO.C3H10N2.CH2O2/c6-4-1-2-5-3-4;1-5-3-2-4;2-1-3/h4-6H,1-3H2;5H,2-4H2,1H3;1H,(H,2,3)
InChIKeyLEHXIZNQRNHNPS-UHFFFAOYSA-N
XLogP-1.79
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-1.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-methylbenzene;1-(4-chlorophenyl)-N-methylmethanamine;formic acid;pyrrolidin-3-ol
CID 176952574
formic acid;1-methoxy-4-methylbenzene;N-methyl-2-pyrrolidin-3-ylethanamine;pyrrolidin-3-ol
CID 176952877
2-aminoacetic acid;pyrrolidin-3-ol
CID 161124906
1-cyclobutyl-N-methylmethanamine;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol
CID 176952176
pyrrolidin-3-ol;uranium
CID 143428396
pyrrolidin-3-ol;yttrium
CID 171793712
2-(azetidin-2-yl)-N-methylethanamine;1-(difluoromethoxy)-4-methylbenzene;formic acid;pyrrolidin-3-ol
CID 176952907
formic acid;1-methoxy-4-methylbenzene;N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine;pyrrolidin-3-ol
CID 176952556
2-(azetidin-2-yl)-N-methylethanamine;ethane;formic acid;5-(4-methylphenyl)-1,3-oxazole;pyrrolidin-3-ol
CID 176953075
but-2-enedioic acid;pyrrolidin-3-ol
CID 75080947
formic acid;1-methoxy-4-methylbenzene;4-(methylaminomethyl)-1H-pyridin-2-one;pyrrolidin-3-ol
CID 176952716
N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol
CID 176952495

Frequently Asked Questions

What is the IUPAC name of formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol?
The IUPAC name of formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol (CID 176952843) is formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol.
What is the SMILES notation for formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol?
The canonical SMILES for formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol is CNCCN.O=CO.OC1CCNC1.
What is the InChIKey of formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol?
The InChIKey is LEHXIZNQRNHNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H10N2.CH2O2/c6-4-1-2-5-3-4;1-5-3-2-4;2-1-3/h4-6H,1-3H2;5H,2-4H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol?
formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol has a molecular weight of 207.27 g/mol, XLogP of -1.79, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N'-methylethane-1,2-diamine;pyrrolidin-3-ol is sourced from PubChem (CID 176952843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).