N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide

C14H16N2O2 — CID 89385442

IUPACN-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide
SMILESO=CN1Cc2ccc(CNC(=O)C3CC3)cc2C1
InChIInChI=1S/C14H16N2O2/c17-9-16-7-12-2-1-10(5-13(12)8-16)6-15-14(18)11-3-4-11/h1-2,5,9,11H,3-4,6-8H2,(H,15,18)
InChIKeyGCYGOFLOCVDPGK-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.18
Rot. Bonds4

About N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide

N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide (PubChem CID 89385442) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide
PubChem CID89385442
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide
SMILESO=CN1Cc2ccc(CNC(=O)C3CC3)cc2C1
InChIInChI=1S/C14H16N2O2/c17-9-16-7-12-2-1-10(5-13(12)8-16)6-15-14(18)11-3-4-11/h1-2,5,9,11H,3-4,6-8H2,(H,15,18)
InChIKeyGCYGOFLOCVDPGK-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115629535
N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 67479328
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide
CID 115158822
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropanecarboxamide
CID 110787330
N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide
CID 21050646
N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide
CID 145043044
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
N-benzylcyclobutanecarboxamide
CID 730128
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
N-benzylcyclopentanecarboxamide
CID 835634

Frequently Asked Questions

What is the IUPAC name of N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide (CID 89385442) is N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide is O=CN1Cc2ccc(CNC(=O)C3CC3)cc2C1.
What is the InChIKey of N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide?
The InChIKey is GCYGOFLOCVDPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-9-16-7-12-2-1-10(5-13(12)8-16)6-15-14(18)11-3-4-11/h1-2,5,9,11H,3-4,6-8H2,(H,15,18).
What are the key properties of N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide?
N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 89385442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).