(3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile

C10H9IN2 — CID 130739664

IUPAC(3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1cc(I)c2c(c1)[C@@H](N)CC2
InChIInChI=1S/C10H9IN2/c11-9-4-6(5-12)3-8-7(9)1-2-10(8)13/h3-4,10H,1-2,13H2/t10-/m0/s1
InChIKeyMPDIYBTWQXRPLQ-JTQLQIEISA-N
MW284.10 g/mol
LogP2.11
Rot. Bonds

About (3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile

(3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 130739664) has the molecular formula C10H9IN2 and a molecular weight of 284.10 g/mol. Its IUPAC name is (3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID130739664
Molecular FormulaC10H9IN2
Molecular Weight284.10 g/mol
Exact Mass283.98
IUPAC Name(3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1cc(I)c2c(c1)[C@@H](N)CC2
InChIInChI=1S/C10H9IN2/c11-9-4-6(5-12)3-8-7(9)1-2-10(8)13/h3-4,10H,1-2,13H2/t10-/m0/s1
InChIKeyMPDIYBTWQXRPLQ-JTQLQIEISA-N
XLogP2.11
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile
CID 130631178
(3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 131020030
(3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol
CID 130648423
(1R)-1-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile
CID 130691990
(1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130624371
(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 59461618
1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 55292008
4-iodo-8-oxo-6,7-dihydro-5H-naphthalene-2-carbonitrile
CID 130038705
(1R)-1-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131123798
3,5-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 130044058
(1R)-4-bromo-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 130673475
(1R)-4-fluoro-2,3-dihydro-1H-indene-1,6-diamine
CID 55275275

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile (CID 130739664) is (3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1cc(I)c2c(c1)[C@@H](N)CC2.
What is the InChIKey of (3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is MPDIYBTWQXRPLQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H9IN2/c11-9-4-6(5-12)3-8-7(9)1-2-10(8)13/h3-4,10H,1-2,13H2/t10-/m0/s1.
What are the key properties of (3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile?
(3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 284.10 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-7-iodo-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 130739664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).