(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine

C11H13NO — CID 156742889

IUPAC(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine
SMILESC=CN[C@H]1CCOc2ccccc21
InChIInChI=1S/C11H13NO/c1-2-12-10-7-8-13-11-6-4-3-5-9(10)11/h2-6,10,12H,1,7-8H2/t10-/m0/s1
InChIKeyRVPJQOVWAKTSDM-JTQLQIEISA-N
MW175.23 g/mol
LogP2.24
Rot. Bonds2

About (4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine

(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 156742889) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID156742889
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine
SMILESC=CN[C@H]1CCOc2ccccc21
InChIInChI=1S/C11H13NO/c1-2-12-10-7-8-13-11-6-4-3-5-9(10)11/h2-6,10,12H,1,7-8H2/t10-/m0/s1
InChIKeyRVPJQOVWAKTSDM-JTQLQIEISA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79101117
(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 78912235
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43194572

Frequently Asked Questions

What is the IUPAC name of (4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine (CID 156742889) is (4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine is C=CN[C@H]1CCOc2ccccc21.
What is the InChIKey of (4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RVPJQOVWAKTSDM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO/c1-2-12-10-7-8-13-11-6-4-3-5-9(10)11/h2-6,10,12H,1,7-8H2/t10-/m0/s1.
What are the key properties of (4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 175.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 156742889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).