N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide

C15H20N2O2 — CID 55084255

IUPACN-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NCC1CCCN1)C1OCCc2ccccc21
InChIInChI=1S/C15H20N2O2/c18-15(17-10-12-5-3-8-16-12)14-13-6-2-1-4-11(13)7-9-19-14/h1-2,4,6,12,14,16H,3,5,7-10H2,(H,17,18)
InChIKeyYRFZGQKADHTFCN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.17
Rot. Bonds3

About N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide

N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 55084255) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID55084255
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NCC1CCCN1)C1OCCc2ccccc21
InChIInChI=1S/C15H20N2O2/c18-15(17-10-12-5-3-8-16-12)14-13-6-2-1-4-11(13)7-9-19-14/h1-2,4,6,12,14,16H,3,5,7-10H2,(H,17,18)
InChIKeyYRFZGQKADHTFCN-UHFFFAOYSA-N
XLogP1.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 114695004
N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 106609122
(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7378858
N-[(1-aminocyclohexyl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 119994997
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 2969137
N-(3-amino-2,2-difluoropropyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 114383356
N-[(1-aminocyclohexyl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119994996
N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 119994993
N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]methyl]benzoic acid
CID 124626878
4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]benzoic acid
CID 119994931
N-(1-aminopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 63733825

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide (CID 55084255) is N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(NCC1CCCN1)C1OCCc2ccccc21.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is YRFZGQKADHTFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(17-10-12-5-3-8-16-12)14-13-6-2-1-4-11(13)7-9-19-14/h1-2,4,6,12,14,16H,3,5,7-10H2,(H,17,18).
What are the key properties of N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 55084255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).