(3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate

C15H13NO4 — CID 47449984

IUPAC(3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESNC(=O)c1cccc(OC(=O)C2CC2c2ccco2)c1
InChIInChI=1S/C15H13NO4/c16-14(17)9-3-1-4-10(7-9)20-15(18)12-8-11(12)13-5-2-6-19-13/h1-7,11-12H,8H2,(H2,16,17)
InChIKeyNZCTXEXJTMOBGZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.09
Rot. Bonds4

About (3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate

(3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate (PubChem CID 47449984) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
PubChem CID47449984
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESNC(=O)c1cccc(OC(=O)C2CC2c2ccco2)c1
InChIInChI=1S/C15H13NO4/c16-14(17)9-3-1-4-10(7-9)20-15(18)12-8-11(12)13-5-2-6-19-13/h1-7,11-12H,8H2,(H2,16,17)
InChIKeyNZCTXEXJTMOBGZ-UHFFFAOYSA-N
XLogP2.09
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
CID 71987439
(7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate
CID 71884345
cis-(4-phenylphenyl) (1S,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 97016443
(4-phenylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
CID 71884358
trans-(2,5-dimethoxyphenyl)methyl (1S,2S)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 99588473
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
2-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-6-methylbenzamide
CID 86851867
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124860048
(3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate
CID 94201532
3-cyclopentyloxybenzamide
CID 71932153
trans-(1-cyclopropyltetrazol-5-yl)methyl (1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylate
CID 97012806
(3-carbamoylphenyl) 4-fluorobenzoate
CID 47175809

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of (3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate (CID 47449984) is (3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for (3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for (3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate is NC(=O)c1cccc(OC(=O)C2CC2c2ccco2)c1.
What is the InChIKey of (3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is NZCTXEXJTMOBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c16-14(17)9-3-1-4-10(7-9)20-15(18)12-8-11(12)13-5-2-6-19-13/h1-7,11-12H,8H2,(H2,16,17).
What are the key properties of (3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
(3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 271.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 47449984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).