(5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol

C9H19NO3 — CID 156802298

IUPAC(5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol
SMILESC=C1CCC(CN)O1.CC(C)(O)O
InChIInChI=1S/C6H11NO.C3H8O2/c1-5-2-3-6(4-7)8-5;1-3(2,4)5/h6H,1-4,7H2;4-5H,1-2H3
InChIKeyAWIRCZXBVSYEDM-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.34
Rot. Bonds1

About (5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol

(5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol (PubChem CID 156802298) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol.

Molecular Properties

Compound Name(5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol
PubChem CID156802298
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol
SMILESC=C1CCC(CN)O1.CC(C)(O)O
InChIInChI=1S/C6H11NO.C3H8O2/c1-5-2-3-6(4-7)8-5;1-3(2,4)5/h6H,1-4,7H2;4-5H,1-2H3
InChIKeyAWIRCZXBVSYEDM-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane
CID 161105349
tert-butyl N-[2-(aminomethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
CID 170916446
[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 19079501
tert-butyl-dimethyl-[2-[(2R,3S)-3-methyl-6-methylideneoxan-2-yl]ethoxy]silane
CID 10564008
[(2S,6Z)-6-(4-methylcyclohexa-2,4-dien-1-ylidene)oxan-2-yl]methanamine
CID 134408168
tert-butyl 4-[6-(aminomethyl)-2-oxo-1,3-oxazinan-3-yl]piperidine-1-carboxylate
CID 117274618
ethyl N-[(3R,6S)-6-(aminomethyl)oxan-3-yl]-N-tert-butylcarbamate
CID 170549425
5-[(2R)-2-(aminomethyl)-6-fluoro-5-hydroxy-3,4-dihydro-2H-chromen-8-yl]-4,6-dichlorobenzene-1,2,3-triol
CID 25010100
(5R)-5-(aminomethyl)-3-(3,3-dimethyl-2-oxobutyl)-1,3-oxazolidin-2-one
CID 59735311
(4R)-4-(aminomethyl)oxetan-2-one
CID 20656326
4-[(2R)-2-(aminomethyl)-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-5-(trifluoromethyl)benzene-1,2-diol
CID 25010106
(2R)-2-(aminomethyl)-8-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-5-ol
CID 25010104

Frequently Asked Questions

What is the IUPAC name of (5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol?
The IUPAC name of (5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol (CID 156802298) is (5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol.
What is the SMILES notation for (5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol?
The canonical SMILES for (5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol is C=C1CCC(CN)O1.CC(C)(O)O.
What is the InChIKey of (5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol?
The InChIKey is AWIRCZXBVSYEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H8O2/c1-5-2-3-6(4-7)8-5;1-3(2,4)5/h6H,1-4,7H2;4-5H,1-2H3.
What are the key properties of (5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol?
(5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol has a molecular weight of 189.25 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol is sourced from PubChem (CID 156802298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).