N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide

C14H14N2O2 — CID 95572299

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)c1ccc[nH]1
InChIInChI=1S/C14H14N2O2/c17-14(12-5-3-8-15-12)16-11-7-9-18-13-6-2-1-4-10(11)13/h1-6,8,11,15H,7,9H2,(H,16,17)/t11-/m1/s1
InChIKeyUGNNTZDRAXRCQF-LLVKDONJSA-N
MW242.28 g/mol
LogP2.27
Rot. Bonds2

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 95572299) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID95572299
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)c1ccc[nH]1
InChIInChI=1S/C14H14N2O2/c17-14(12-5-3-8-15-12)16-11-7-9-18-13-6-2-1-4-10(11)13/h1-6,8,11,15H,7,9H2,(H,16,17)/t11-/m1/s1
InChIKeyUGNNTZDRAXRCQF-LLVKDONJSA-N
XLogP2.27
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300
N-(5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrrole-2-carboxamide
CID 110480960
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide
CID 9159432
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide
CID 99804582
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide
CID 104916741
5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
CID 94179713
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide (CID 95572299) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide is O=C(N[C@@H]1CCOc2ccccc21)c1ccc[nH]1.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is UGNNTZDRAXRCQF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(12-5-3-8-15-12)16-11-7-9-18-13-6-2-1-4-10(11)13/h1-6,8,11,15H,7,9H2,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 95572299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).