4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide

C12H20N2O3 — CID 107389499

IUPAC4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2C=CC(N)C2)O1
InChIInChI=1S/C12H20N2O3/c1-12(2)16-7-10(17-12)6-14-11(15)8-3-4-9(13)5-8/h3-4,8-10H,5-7,13H2,1-2H3,(H,14,15)
InChIKeyISZFWPBRVUZDNK-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.16
Rot. Bonds3

About 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide (PubChem CID 107389499) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide
PubChem CID107389499
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2C=CC(N)C2)O1
InChIInChI=1S/C12H20N2O3/c1-12(2)16-7-10(17-12)6-14-11(15)8-3-4-9(13)5-8/h3-4,8-10H,5-7,13H2,1-2H3,(H,14,15)
InChIKeyISZFWPBRVUZDNK-UHFFFAOYSA-N
XLogP0.16
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
CID 107389239
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 107388930
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103800557
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
4-(aminomethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
CID 104694629
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
CID 103800989
1-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentane-1-carboxamide
CID 107389480
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
2-bromo-N,N'-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanediamide
CID 22369352
3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
CID 107389487
(2R)-2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
CID 107389469
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 113264633

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide (CID 107389499) is 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide is CC1(C)OCC(CNC(=O)C2C=CC(N)C2)O1.
What is the InChIKey of 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is ISZFWPBRVUZDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2)16-7-10(17-12)6-14-11(15)8-3-4-9(13)5-8/h3-4,8-10H,5-7,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 107389499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).