N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

C15H19NO2 — CID 80716453

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO2/c17-10-15(6-7-15)9-16-14(18)13-5-4-11-2-1-3-12(11)8-13/h4-5,8,17H,1-3,6-7,9-10H2,(H,16,18)
InChIKeyULFHTKGAFDYEGW-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.68
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 80716453) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID80716453
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO2/c17-10-15(6-7-15)9-16-14(18)13-5-4-11-2-1-3-12(11)8-13/h4-5,8,17H,1-3,6-7,9-10H2,(H,16,18)
InChIKeyULFHTKGAFDYEGW-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 114758092
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
CID 113434894
6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 115283360
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378
3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 103842937
N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 80716840
N-[[1-[(2-chloroacetyl)amino]cycloheptyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 154874717
N-[(1-ethylcyclobutyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056005
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 80716453) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCC1(CO)CC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is ULFHTKGAFDYEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-10-15(6-7-15)9-16-14(18)13-5-4-11-2-1-3-12(11)8-13/h4-5,8,17H,1-3,6-7,9-10H2,(H,16,18).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 80716453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).