N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide

C14H17NO — CID 100952588

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C14H17NO/c1-2-3-8-14(16)15-13-10-9-11-6-4-5-7-12(11)13/h2,4-7,13H,1,3,8-10H2,(H,15,16)/t13-/m1/s1
InChIKeyRKXSIEIXKMSVPU-CYBMUJFWSA-N
MW215.30 g/mol
LogP2.76
Rot. Bonds4

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide (PubChem CID 100952588) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide
PubChem CID100952588
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C14H17NO/c1-2-3-8-14(16)15-13-10-9-11-6-4-5-7-12(11)13/h2,4-7,13H,1,3,8-10H2,(H,15,16)/t13-/m1/s1
InChIKeyRKXSIEIXKMSVPU-CYBMUJFWSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide
CID 134345086
N-(2,3-dihydro-1H-inden-1-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51101004
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 166244952
3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424123
N-cyclopropyl-3-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 62626829
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide (CID 100952588) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide is C=CCCC(=O)N[C@@H]1CCc2ccccc21.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide?
The InChIKey is RKXSIEIXKMSVPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-8-14(16)15-13-10-9-11-6-4-5-7-12(11)13/h2,4-7,13H,1,3,8-10H2,(H,15,16)/t13-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide has a molecular weight of 215.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide is sourced from PubChem (CID 100952588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).