4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole

C14H15N — CID 11074354

IUPAC4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESC=CCc1c2n(c3ccccc13)CCC2
InChIInChI=1S/C14H15N/c1-2-6-11-12-7-3-4-8-13(12)15-10-5-9-14(11)15/h2-4,7-8H,1,5-6,9-10H2
InChIKeyUFCSYFJBPRKYQC-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.32
Rot. Bonds2

About 4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole

4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole (PubChem CID 11074354) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
PubChem CID11074354
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESC=CCc1c2n(c3ccccc13)CCC2
InChIInChI=1S/C14H15N/c1-2-6-11-12-7-3-4-8-13(12)15-10-5-9-14(11)15/h2-4,7-8H,1,5-6,9-10H2
InChIKeyUFCSYFJBPRKYQC-UHFFFAOYSA-N
XLogP3.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 134444762
4-iodo-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-5-one
CID 53359870
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
CID 19599427
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
CID 10442668
10-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 58315233
10-butan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 145177333
6-(dimethylamino)-N-[2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)ethyl]hexanamide;hydrate;hydrochloride
CID 22158313
(4-methylnaphthalen-1-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 66764509
(4-methylnaphthalen-2-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 56838054
3-benzyl-1,2-bis(prop-2-enyl)indole
CID 162407224
11-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole
CID 12864595
1,9-bis(prop-2-enyl)carbazol-2-ol
CID 59860901

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The IUPAC name of 4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole (CID 11074354) is 4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The canonical SMILES for 4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole is C=CCc1c2n(c3ccccc13)CCC2.
What is the InChIKey of 4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The InChIKey is UFCSYFJBPRKYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-6-11-12-7-3-4-8-13(12)15-10-5-9-14(11)15/h2-4,7-8H,1,5-6,9-10H2.
What are the key properties of 4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole has a molecular weight of 197.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 11074354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).