5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide

C12H19N3O2 — CID 114186150

IUPAC5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide
SMILESCn1cccc1CNC(=O)C1CCC(CN)O1
InChIInChI=1S/C12H19N3O2/c1-15-6-2-3-9(15)8-14-12(16)11-5-4-10(7-13)17-11/h2-3,6,10-11H,4-5,7-8,13H2,1H3,(H,14,16)
InChIKeyHZANBNGYNBERPO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.15
Rot. Bonds4

About 5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide

5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide (PubChem CID 114186150) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide
PubChem CID114186150
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide
SMILESCn1cccc1CNC(=O)C1CCC(CN)O1
InChIInChI=1S/C12H19N3O2/c1-15-6-2-3-9(15)8-14-12(16)11-5-4-10(7-13)17-11/h2-3,6,10-11H,4-5,7-8,13H2,1H3,(H,14,16)
InChIKeyHZANBNGYNBERPO-UHFFFAOYSA-N
XLogP0.15
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[(1-methylpyrrol-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106414767
(2S,5R)-5-(aminomethyl)-N-(1-methyl-2-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 120793010
(2S,5R)-5-(aminomethyl)-N-[(4-tert-butylphenyl)methyl]oxolane-2-carboxamide
CID 120785936
(2S,5R)-5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120783134
(2S,5R)-5-(aminomethyl)-N-[(2-bromophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785931
(2S,5R)-5-(aminomethyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120797320
(2S,5R)-5-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786721
(2S,5R)-5-(aminomethyl)-N-[(4-propan-2-ylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786767
(2S,5R)-5-(aminomethyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 120799868
(2S,5R)-5-(aminomethyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120797845
(2S,5R)-5-(aminomethyl)-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120798390
(2S,5R)-5-(aminomethyl)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 120797858

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide (CID 114186150) is 5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide is Cn1cccc1CNC(=O)C1CCC(CN)O1.
What is the InChIKey of 5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide?
The InChIKey is HZANBNGYNBERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-6-2-3-9(15)8-14-12(16)11-5-4-10(7-13)17-11/h2-3,6,10-11H,4-5,7-8,13H2,1H3,(H,14,16).
What are the key properties of 5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide?
5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 114186150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).