2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile

C14H17N3 — CID 65497142

IUPAC2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CCc3cc(N)ccc32)CC1
InChIInChI=1S/C14H17N3/c15-7-6-14(4-5-14)10-17-8-3-11-9-12(16)1-2-13(11)17/h1-2,9H,3-6,8,10,16H2
InChIKeyUPKAXJAJKKSRKJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.33
Rot. Bonds3

About 2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 65497142) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID65497142
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CCc3cc(N)ccc32)CC1
InChIInChI=1S/C14H17N3/c15-7-6-14(4-5-14)10-17-8-3-11-9-12(16)1-2-13(11)17/h1-2,9H,3-6,8,10,16H2
InChIKeyUPKAXJAJKKSRKJ-UHFFFAOYSA-N
XLogP2.33
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile (CID 65497142) is 2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(CN2CCc3cc(N)ccc32)CC1.
What is the InChIKey of 2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is UPKAXJAJKKSRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-7-6-14(4-5-14)10-17-8-3-11-9-12(16)1-2-13(11)17/h1-2,9H,3-6,8,10,16H2.
What are the key properties of 2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 227.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-amino-2,3-dihydroindol-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65497142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).