N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine

C11H11N — CID 130651955

IUPACN-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine
SMILESC#CCNC1Cc2ccccc21
InChIInChI=1S/C11H11N/c1-2-7-12-11-8-9-5-3-4-6-10(9)11/h1,3-6,11-12H,7-8H2
InChIKeyULABELZWLPMJKF-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.51
Rot. Bonds2

About N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine

N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine (PubChem CID 130651955) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine.

Molecular Properties

Compound NameN-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine
PubChem CID130651955
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC NameN-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine
SMILESC#CCNC1Cc2ccccc21
InChIInChI=1S/C11H11N/c1-2-7-12-11-8-9-5-3-4-6-10(9)11/h1,3-6,11-12H,7-8H2
InChIKeyULABELZWLPMJKF-UHFFFAOYSA-N
XLogP1.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

formic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53378998
methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine;hydrate
CID 140668931
butanedioic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 44611628
(Z)-but-2-enedioic acid;N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 10266058
benzoic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53379225
2,3-dihydroxybutanedioic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53378885
2-propylpentanoic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 174540330
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
(2S)-2-hydroxy-2-phenylacetic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine;N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine;triiodide;hydroiodide
CID 160805399
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
CID 115724846

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine?
The IUPAC name of N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine (CID 130651955) is N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine.
What is the SMILES notation for N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine?
The canonical SMILES for N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine is C#CCNC1Cc2ccccc21.
What is the InChIKey of N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine?
The InChIKey is ULABELZWLPMJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-7-12-11-8-9-5-3-4-6-10(9)11/h1,3-6,11-12H,7-8H2.
What are the key properties of N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine?
N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine has a molecular weight of 157.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylbicyclo[4.2.0]octa-1,3,5-trien-7-amine is sourced from PubChem (CID 130651955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).