4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide

C14H14N2O3 — CID 1482641

IUPAC4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(C(=O)C2CC2)c[nH]1
InChIInChI=1S/C14H14N2O3/c17-13(9-3-4-9)10-6-12(15-7-10)14(18)16-8-11-2-1-5-19-11/h1-2,5-7,9,15H,3-4,8H2,(H,16,18)
InChIKeyMYGRNVSPDPGELJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.13
Rot. Bonds5

About 4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 1482641) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID1482641
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(C(=O)C2CC2)c[nH]1
InChIInChI=1S/C14H14N2O3/c17-13(9-3-4-9)10-6-12(15-7-10)14(18)16-8-11-2-1-5-19-11/h1-2,5-7,9,15H,3-4,8H2,(H,16,18)
InChIKeyMYGRNVSPDPGELJ-UHFFFAOYSA-N
XLogP2.13
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 1482641) is 4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCc1ccco1)c1cc(C(=O)C2CC2)c[nH]1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is MYGRNVSPDPGELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13(9-3-4-9)10-6-12(15-7-10)14(18)16-8-11-2-1-5-19-11/h1-2,5-7,9,15H,3-4,8H2,(H,16,18).
What are the key properties of 4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1482641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).