3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide

C16H20N2O — CID 97086843

IUPAC3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
SMILESC=CC[C@H](C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O/c1-3-6-12(2)18-16(19)10-9-13-11-17-15-8-5-4-7-14(13)15/h3-5,7-8,11-12,17H,1,6,9-10H2,2H3,(H,18,19)/t12-/m0/s1
InChIKeyHBMKLKQNHOIHDW-LBPRGKRZSA-N
MW256.35 g/mol
LogP3.18
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide

3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide (PubChem CID 97086843) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
PubChem CID97086843
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
SMILESC=CC[C@H](C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O/c1-3-6-12(2)18-16(19)10-9-13-11-17-15-8-5-4-7-14(13)15/h3-5,7-8,11-12,17H,1,6,9-10H2,2H3,(H,18,19)/t12-/m0/s1
InChIKeyHBMKLKQNHOIHDW-LBPRGKRZSA-N
XLogP3.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyl-1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 95930494
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115662191
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
CID 52781483
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
(E)-2-[3-(1H-indol-3-yl)propanoylamino]hex-4-enoic acid
CID 120692449
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 70160592
N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide
CID 41099576

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide (CID 97086843) is 3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide is C=CC[C@H](C)NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide?
The InChIKey is HBMKLKQNHOIHDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-6-12(2)18-16(19)10-9-13-11-17-15-8-5-4-7-14(13)15/h3-5,7-8,11-12,17H,1,6,9-10H2,2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide?
3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide has a molecular weight of 256.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide is sourced from PubChem (CID 97086843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).