1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide

C13H16N2O2 — CID 99833738

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide
SMILESNC(=O)C1(NCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C13H16N2O2/c14-12(16)13(4-5-13)15-8-9-1-2-11-10(7-9)3-6-17-11/h1-2,7,15H,3-6,8H2,(H2,14,16)
InChIKeyBKONOBABSCLGPE-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.73
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide

1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide (PubChem CID 99833738) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide
PubChem CID99833738
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide
SMILESNC(=O)C1(NCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C13H16N2O2/c14-12(16)13(4-5-13)15-8-9-1-2-11-10(7-9)3-6-17-11/h1-2,7,15H,3-6,8H2,(H2,14,16)
InChIKeyBKONOBABSCLGPE-UHFFFAOYSA-N
XLogP0.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propanoic acid
CID 43804240
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)butan-2-one
CID 115235717
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185352
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
(E)-4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-4-oxobut-2-enoic acid
CID 115177230
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787105
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide (CID 99833738) is 1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide is NC(=O)C1(NCc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide?
The InChIKey is BKONOBABSCLGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-12(16)13(4-5-13)15-8-9-1-2-11-10(7-9)3-6-17-11/h1-2,7,15H,3-6,8H2,(H2,14,16).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide?
1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclopropane-1-carboxamide is sourced from PubChem (CID 99833738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).